1.0 2016-09-30 22:52:29 UTC 2020-05-11 22:30:08 UTC BMDB0002199 BMDB02199 Desaminotyrosine 3-(p-Hydroxyphenyl)propionic acid 4-Hydroxyphenylpropionic acid beta-(p-Hydroxyphenyl)propionic acid Dihydro-p-coumaric acid HYDROXYPHENYL propionIC ACID p-Hydroxyhydrocinnamic acid p-Hydroxyphenylpropionic acid Phloretinic acid 3-(4-Hydroxyphenyl)propanoate 3-(4-Hydroxyphenyl)propionate 3-(p-Hydroxyphenyl)propionate 4-Hydroxyphenylpropionate b-(p-Hydroxyphenyl)propionate b-(p-Hydroxyphenyl)propionic acid beta-(p-Hydroxyphenyl)propionate Β-(p-hydroxyphenyl)propionate Β-(p-hydroxyphenyl)propionic acid Dihydro-p-coumarate HYDROXYPHENYL propionate p-Hydroxyhydrocinnamate p-Hydroxyphenylpropionate Phloretinate Phloretate 3-(4-Hydroxyphenyl)propanoic acid 3-(4'-Hydroxyphenyl)-propionate 3-(4'-Hydroxyphenyl)-propionic acid 3-(4'-Hydroxyphenyl)propionic acid 3-(4-Hydroxy-phenyl)-propionate 3-(4-Hydroxy-phenyl)-propionic acid 3-(4-Hydroxyphenyl)-propionate 3-(4-Hydroxyphenyl)-propionic acid 3-(Para-hydroxyphenyl)propionate 3-(Para-hydroxyphenyl)propionic acid 4'-Hydroxyphenylpropionic acid 4-(4-Hydroxyphenylpropanoate 4-(4-Hydroxyphenylpropanoic acid 4-Hydroxy-(9ci)benzenepropanoate 4-Hydroxy-(9ci)benzenepropanoic acid 4-Hydroxy-benzenepropanoate 4-Hydroxy-benzenepropanoic acid 4-Hydroxybenzenepropanoate 4-Hydroxybenzenepropanoic acid hydro-P-Coumarate Hydro-p-coumaric acid Hydroxy-hydrocinnamic acid N-Hydroxysuccinimide ester P-Hydroxy-benzene propionate P-Hydroxy-benzene propionic acid P-Hydroxy-hydrocinnamate P-Hydroxy-hydrocinnamic acid 4-Hydroxyhydrocinnamic acid Desaminotyrosine 3-(4'-Hydroxyphenyl)propanoic acid 4-Hydroxybenzenepropionic acid 2,3-Dihydro-p-coumaric acid 3-(4’-Hydroxyphenyl)propanoic acid 3-(4’-Hydroxyphenyl)propionic acid 3-(p-Hydroxyphenyl)propanoic acid 4-(2-Carboxyethyl)phenol 4-(2-Carboxylethyl)phenol 4-Hydroxydihydrocinnamic acid Dihydrocoumaric acid p-Hydroxybenzene propanoic acid p-Hydroxybenzene propionic acid p-Hydroxyphenylpropanoic acid beta-(4-Hydroxyphenyl)propanoic acid beta-(4-Hydroxyphenyl)propionic acid β-(4-Hydroxyphenyl)propanoic acid β-(4-Hydroxyphenyl)propionic acid beta-(p-Hydroxyphenyl)propanoic acid β-(p-Hydroxyphenyl)propanoic acid C9H10O3 166.1739 166.062994186 3-(4-hydroxyphenyl)propanoic acid hydroxyphenyl propionic acid 501-97-3 OC(=O)CCC1=CC=C(O)C=C1 InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) NMHMNPHRMNGLLB-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Aromatic homomonocyclic compounds hydroxy monocarboxylic acid Solid melting_point 129 °C logp 1.16 HANSCH,C ET AL. (1995) logp 1.15 ALOGPS logs -1.79 ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 4.21 ChemAxon pka_strongest_basic -6 ChemAxon iupac 3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles OC(=O)CCC1=CC=C(O)C=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) ChemAxon inchikey NMHMNPHRMNGLLB-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 43.95 ChemAxon polarizability 16.97 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1801 Specdb::MsIr 1672 Specdb::MsIr 1673 Specdb::MsIr 1674 Specdb::MsMs 2025 Specdb::MsMs 2026 Specdb::MsMs 2027 Specdb::MsMs 5745 Specdb::MsMs 5746 Specdb::MsMs 5747 Specdb::MsMs 5748 Specdb::MsMs 5749 Specdb::MsMs 240757 Specdb::MsMs 240758 Specdb::MsMs 240759 Specdb::MsMs 242812 Specdb::MsMs 242813 Specdb::MsMs 242814 Specdb::MsMs 437880 Specdb::MsMs 437881 Specdb::MsMs 437882 Specdb::MsMs 437883 Specdb::MsMs 437884 Specdb::MsMs 2756362 Specdb::MsMs 2756363 Specdb::MsMs 2756364 Specdb::MsMs 2953410 Specdb::MsMs 2953411 Specdb::MsMs 2953412 Specdb::CMs 5827 Specdb::CMs 29890 Specdb::CMs 31844 Specdb::CMs 38310 Specdb::CMs 99757 Specdb::CMs 99758 Specdb::CMs 151711 Specdb::NmrOneD 1862 Specdb::NmrOneD 334238 Specdb::NmrOneD 334239 Specdb::NmrOneD 334240 Specdb::NmrOneD 334241 Specdb::NmrOneD 334242 Specdb::NmrOneD 334243 Specdb::NmrOneD 334244 Specdb::NmrOneD 334245 Specdb::NmrOneD 334246 Specdb::NmrOneD 334247 Specdb::NmrOneD 334248 Specdb::NmrOneD 334249 Specdb::NmrOneD 334250 Specdb::NmrOneD 334251 Specdb::NmrOneD 334252 Specdb::NmrOneD 334253 Specdb::NmrOneD 334254 Specdb::NmrOneD 334255 Specdb::NmrOneD 334256 Specdb::NmrOneD 334257 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Ruminal Fluid Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 Spleen Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 9965 DB03897 FDB000849 C01744 10394 C00029471 578 32980 2-3-DIHYDROXYPHENYL-PROPIONATE Phloretic acid 4148 Jin, Enqing. Preparation of 4-hydroxyphenylpropionic acid. Faming Zhuanli Shenqing Gongkai Shuomingshu (1998), 5 pp.