1.0 2010-04-08 22:04:30 UTC 2025-11-18 22:16:40 UTC FDB000258 p-Coumaric acid ethyl ester Ethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. Ethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate can be found in vinegar, which makes ethyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate a potential biomarker for the consumption of this food product. C11H12O3 192.2112 192.07864425 ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate [H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OCC InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+ ZOQCEVXVQCPESC-VMPITWQZSA-N belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid. Coumaric acid esters Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Carbonyl compounds Cinnamic acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Styrenes 1-hydroxy-2-unsubstituted benzenoid Alpha,beta-unsaturated carboxylic ester Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene logp 3.07 ALOGPS logs -2.25 ALOGPS solubility 1.08e+00 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -6 ChemAxon iupac ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 192.2112 ChemAxon mono_mass 192.07864425 ChemAxon smiles [H]\C(=C(\[H])C1=CC=C(O)C=C1)C(=O)OCC ChemAxon formula C11H12O3 ChemAxon inchi InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+ ChemAxon inchikey ZOQCEVXVQCPESC-VMPITWQZSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 54.56 ChemAxon polarizability 20.69 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 48897 Specdb::MsMs 48898 Specdb::MsMs 48899 Specdb::MsMs 146313 Specdb::MsMs 146314 Specdb::MsMs 146315 Specdb::MsMs 2286079 Specdb::MsMs 2286080 Specdb::MsMs 2286081 Specdb::MsMs 3083523 Specdb::MsMs 3083524 Specdb::MsMs 3083525 Specdb::CMs 5940 Specdb::CMs 54354 Specdb::CMs 151613 Specdb::MsIr 11129 Specdb::MsIr 11130 Specdb::MsIr 11131 Vinegar Type 2 specific 0.032304 0.032304349 0.032304349 mg/100 g