1.0 2010-04-08 22:13:23 UTC 2019-11-26 03:15:25 UTC FDB017906 Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate Isolated from Ginkgo biloba (ginkgo). Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate is found in fats and oils. Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate C25H40O3 388.5833 388.297745146 methyl 2-[(10Z)-heptadec-10-en-1-yl]-6-hydroxybenzoate methyl 2-[(10Z)-heptadec-10-en-1-yl]-6-hydroxybenzoate 111047-31-5 CCCCCC\C=C/CCCCCCCCCC1=C(C(=O)OC)C(O)=CC=C1 InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h8-9,18,20-21,26H,3-7,10-17,19H2,1-2H3/b9-8- ASEOLGYFIXYYFV-HJWRWDBZSA-N belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. o-Hydroxybenzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Salicylic acid and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound Phenol Salicylic acid or derivatives Vinylogous acid logp 8.97 ALOGPS logs -6.81 ALOGPS solubility 6.01e-05 g/l ALOGPS logp 9.59 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac methyl 2-[(10Z)-heptadec-10-en-1-yl]-6-hydroxybenzoate ChemAxon average_mass 388.5833 ChemAxon mono_mass 388.297745146 ChemAxon smiles CCCCCC\C=C/CCCCCCCCCC1=C(C(=O)OC)C(O)=CC=C1 ChemAxon formula C25H40O3 ChemAxon inchi InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h8-9,18,20-21,26H,3-7,10-17,19H2,1-2H3/b9-8- ChemAxon inchikey ASEOLGYFIXYYFV-HJWRWDBZSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 119.84 ChemAxon polarizability 48.91 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11282 Specdb::CMs 45887 Specdb::CMs 136535 Specdb::CMs 144269 Specdb::MsMs 59823 Specdb::MsMs 59824 Specdb::MsMs 59825 Specdb::MsMs 116040 Specdb::MsMs 116041 Specdb::MsMs 116042 Specdb::MsMs 2712872 Specdb::MsMs 2712873 Specdb::MsMs 2712874 Specdb::MsMs 2965620 Specdb::MsMs 2965621 Specdb::MsMs 2965622 HMDB38523 #<Reference:0x000055ce31f49958> Fats and oils Unknown generic