1.0 2010-04-08 22:05:07 UTC 2025-11-18 22:33:09 UTC FDB001825 Methyl p-coumarate Methyl p-coumarate, also known as 4-coumaric acid methyl ester, 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. Methyl p-coumarate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Methyl p-coumarate can be found in bamboo shoots and garden onion, which makes methyl p-coumarate a potential biomarker for the consumption of these food products. (E)-3-(4-Hydroxy-phenyl)-acrylic acid methyl ester 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester, (E)- 4-Coumaric acid methyl ester 4-Hydroxycinnamic acid methyl ester Cinnamic acid, p-hydroxy-, methyl ester Methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate Methyl 3-(4-hydroxyphenyl)acrylate Methyl 4-coumarate Methyl 4-hydroxycinnamate Methyl p-coumarate Methyl p-hydroxycinnamate p-Coumaric acid methyl ester p-Hydroxycinnamic acid methyl ester C10H10O3 178.1846 178.062994186 methyl 3-(4-hydroxyphenyl)prop-2-enoate methyl 3-(4-hydroxyphenyl)prop-2-enoate 3943-97-3 COC(=O)C=CC1=CC=C(O)C=C1 InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3 NITWSHWHQAQBAW-UHFFFAOYSA-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 Methyl esters 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 Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Styrene logp 2.42 ALOGPS logs -2.26 ALOGPS solubility 9.78e-01 g/l ALOGPS logp 2.21 ChemAxon pka_strongest_acidic 9.4 ChemAxon pka_strongest_basic -6 ChemAxon iupac methyl 3-(4-hydroxyphenyl)prop-2-enoate ChemAxon average_mass 178.1846 ChemAxon mono_mass 178.062994186 ChemAxon smiles COC(=O)C=CC1=CC=C(O)C=C1 ChemAxon formula C10H10O3 ChemAxon inchi InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3 ChemAxon inchikey NITWSHWHQAQBAW-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 49.81 ChemAxon polarizability 18.42 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45339 Specdb::MsMs 45340 Specdb::MsMs 45341 Specdb::MsMs 130812 Specdb::MsMs 130813 Specdb::MsMs 130814 Specdb::MsMs 3598648 Specdb::MsMs 3598649 Specdb::MsMs 3598650 Specdb::MsMs 3598651 Specdb::MsMs 3598652 Specdb::MsMs 3598653 36087 Bamboo shoots Type 1 specific Phyllostachys edulis 38705 Garden onion Type 1 specific Allium cepa 4679