1.0 2016-09-30 23:05:44 UTC 2020-05-11 20:56:17 UTC BMDB0003654 BMDB03654 4-Coumaryl alcohol (E)-4-Coumaryl alcohol 4-Hydroxycinnamyl alcohol p-Coumaryl alcohol 3-(4-Hydroxyphenyl)-1-propane 3-OHPP 4-Coumarinol 4-Hydroxy-2H-1-benzopyran-2-one 4-Hydroxy-2H-chromen-2-one 4-Hydroxycoumarin 4-Hydroxycoumarine Benzotetronate Benzotetronic acid Hydroxy coumarin trans-3-(4'-Hydroxyphenyl)-2-propenoic acid trans-HPPA p-Hydroxycinnamic acid Para-coumaric acid 4-Coumaric acid, (E)-isomer 4-Hydroxycinnamic acid p-Coumaric acid 4-Coumaric acid (E)-4-Coumaroyl alcohol (E)-p-Coumaryl alcohol 3-(p-Hydroxyphenyl)-2-propen-1-ol 4-(3-Hydroxy-1-propen-1-yl)phenol 4-Coumaryl alcohol 4-Hydroxycinnamic alcohol 4-[(1E)-3-Hydroxy-1-propenyl]phenol Paracoumaryl alcohol p-Coumaric alcohol p-Cumaric alcohol p-Hydroxycinnamic alcohol p-Hydroxycinnamyl alcohol trans-p-Coumaryl alcohol C9H10O2 150.1745 150.068079564 4-[(1E)-3-hydroxyprop-1-en-1-yl]phenol paracoumaryl alcohol 1076-38-6 OC\C=C\C1=CC=C(O)C=C1 InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+ PTNLHDGQWUGONS-OWOJBTEDSA-N belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. Organic compounds Phenylpropanoids and polyketides Cinnamyl alcohols Cinnamyl alcohols 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Primary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid Alcohol Aromatic homomonocyclic compound Benzenoid Cinnamyl alcohol Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Primary alcohol Styrene Aromatic homomonocyclic compounds 4-hydroxycinnamyl alcohol Paracoumaryl alcohol derivatives phenols phenylpropanoid Solid melting_point 213.5 °C logp 1.55 ALOGPS logs -1.33 ALOGPS logp 1.51 ChemAxon pka_strongest_acidic 9.51 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 4-[(1E)-3-hydroxyprop-1-en-1-yl]phenol ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles OC\C=C\C1=CC=C(O)C=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+ ChemAxon inchikey PTNLHDGQWUGONS-OWOJBTEDSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 45.17 ChemAxon polarizability 16.35 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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::MsIr 2036 Specdb::MsIr 2037 Specdb::CMs 21755 Specdb::CMs 38644 Specdb::CMs 162740 Specdb::MsMs 314365 Specdb::MsMs 314366 Specdb::MsMs 314367 Specdb::MsMs 360094 Specdb::MsMs 360095 Specdb::MsMs 360096 Specdb::MsMs 2266419 Specdb::MsMs 2266420 Specdb::MsMs 2266421 Specdb::MsMs 3075570 Specdb::MsMs 3075571 Specdb::MsMs 3075572 Specdb::NmrOneD 28522 Specdb::NmrOneD 28523 Specdb::NmrOneD 28524 Specdb::NmrOneD 28525 Specdb::NmrOneD 28526 Specdb::NmrOneD 28527 Specdb::NmrOneD 28528 Specdb::NmrOneD 28529 Specdb::NmrOneD 28530 Specdb::NmrOneD 28531 Specdb::NmrOneD 28532 Specdb::NmrOneD 28533 Specdb::NmrOneD 28534 Specdb::NmrOneD 28535 Specdb::NmrOneD 28536 Specdb::NmrOneD 28537 Specdb::NmrOneD 28538 Specdb::NmrOneD 28539 Specdb::NmrOneD 28540 Specdb::NmrOneD 28541 Testis 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 FDB030494 C02646 4444166 5280535 64555 C00000613 COUMARYL-ALCOHOL Paracoumaryl_alcohol 2299830 6971 Takahashi, Yukio; Kato, Keiichi; Kubota, Koichi. One-pot preparation of high-purity 4-hydroxycoumarin. Jpn. Kokai Tokkyo Koho (2005), 7 pp.