1.0 2016-09-30 23:10:38 UTC 2020-04-22 15:14:09 UTC BMDB0004815 BMDB04815 4-Hydroxy-3-methylbenzoic acid 4,3-Cresotic acid 4-Hydroxy-m-toluic acid 4,3-Cresotate 4-Hydroxy-m-toluate 4-Hydroxy-3-methylbenzoate 3-Methyl-4-hydroxybenzoate 3-Methyl-4-hydroxybenzoic acid 4-Hydroxy-3-methyl-benzoate 4-Hydroxy-3-methyl-benzoic acid 4-Hydroxy-3-methoxybenzoic acid Vanillic acid 4-Hydroxy-3-methylbenzoic acid C8H8O3 152.1473 152.047344122 4-hydroxy-3-methylbenzoic acid 4-hydroxy-3-methylbenzoic acid 499-76-3 CC1=CC(=CC=C1O)C(O)=O InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) LTFHNKUKQYVHDX-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Hydroxybenzoic acid derivatives 1-hydroxy-2-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives O-cresol Organic oxide Organic oxygen compound Organooxygen compound Phenol Toluene Aromatic homomonocyclic compounds monohydroxybenzoic acid toluenes Solid water_solubility 11.6 mg/mL at 100 °C logp 1.86 ALOGPS logs -1.53 ALOGPS logp 1.84 ChemAxon pka_strongest_acidic 4.38 ChemAxon pka_strongest_basic -6 ChemAxon iupac 4-hydroxy-3-methylbenzoic acid ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles CC1=CC(=CC=C1O)C(O)=O ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11) ChemAxon inchikey LTFHNKUKQYVHDX-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.34 ChemAxon polarizability 15.01 ChemAxon rotatable_bond_count 1 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::MsIr 2242 Specdb::MsIr 2243 Specdb::MsIr 2244 Specdb::NmrTwoD 1942 Specdb::CMs 14230 Specdb::CMs 38810 Specdb::CMs 175115 Specdb::MsMs 2409 Specdb::MsMs 2410 Specdb::MsMs 2411 Specdb::MsMs 297379 Specdb::MsMs 297380 Specdb::MsMs 297381 Specdb::MsMs 338893 Specdb::MsMs 338894 Specdb::MsMs 338895 Specdb::MsMs 2232730 Specdb::MsMs 2233884 Specdb::MsMs 2235072 Specdb::MsMs 2756386 Specdb::MsMs 2756387 Specdb::MsMs 2756388 Specdb::MsMs 2953359 Specdb::MsMs 2953360 Specdb::MsMs 2953361 Specdb::NmrOneD 2007 Specdb::NmrOneD 54482 Specdb::NmrOneD 54483 Specdb::NmrOneD 54484 Specdb::NmrOneD 54485 Specdb::NmrOneD 54486 Specdb::NmrOneD 54487 Specdb::NmrOneD 54488 Specdb::NmrOneD 54489 Specdb::NmrOneD 54490 Specdb::NmrOneD 54491 Specdb::NmrOneD 54492 Specdb::NmrOneD 54493 Specdb::NmrOneD 54494 Specdb::NmrOneD 54495 Specdb::NmrOneD 54496 Specdb::NmrOneD 54497 Specdb::NmrOneD 54498 Specdb::NmrOneD 54499 Specdb::NmrOneD 54500 Specdb::NmrOneD 54501 Specdb::NmrOneD 166615 Specdb::NmrOneD 166616 FDB023425 61446 85239 68138 King, L. Carroll; McWhirter, Margaret; Barton, Daniel M. Reactions of acetophenols with iodine and pyridine and the preparation of hydroxybenzoic acids. Journal of the American Chemical Society (1945), 67 2089-92.