1.0 2010-04-08 22:14:05 UTC 2025-11-19 02:16:15 UTC FDB019023 2,4'-Dimethoxyphloretic acid Constituent of barley, rye and wheat grains, prob. in an enantiomeric form. 2,4'-Dimethoxyphloretic acid is found in cereals and cereal products. 2-Methoxy-3-(4-methoxyphenyl)propanoic acid C11H14O4 210.2265 210.089208936 2-methoxy-3-(4-methoxyphenyl)propanoic acid 2-methoxy-3-(4-methoxyphenyl)propanoic acid 87387-83-5 COC(CC1=CC=C(OC)C=C1)C(O)=O InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(15-2)11(12)13/h3-6,10H,7H2,1-2H3,(H,12,13) OGJKUGGZOYNPSS-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Phenylpropanoic acids Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds 3-phenylpropanoic-acid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 1.28 ALOGPS logs -2.17 ALOGPS solubility 1.41e+00 g/l ALOGPS logp 1.67 ChemAxon pka_strongest_acidic 3.78 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-methoxy-3-(4-methoxyphenyl)propanoic acid ChemAxon average_mass 210.2265 ChemAxon mono_mass 210.089208936 ChemAxon smiles COC(CC1=CC=C(OC)C=C1)C(O)=O ChemAxon formula C11H14O4 ChemAxon inchi InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(15-2)11(12)13/h3-6,10H,7H2,1-2H3,(H,12,13) ChemAxon inchikey OGJKUGGZOYNPSS-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 54.67 ChemAxon polarizability 21.74 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22908 Specdb::CMs 46403 Specdb::CMs 156230 Specdb::MsMs 85479 Specdb::MsMs 85480 Specdb::MsMs 85481 Specdb::MsMs 147582 Specdb::MsMs 147583 Specdb::MsMs 147584 Specdb::MsMs 2694984 Specdb::MsMs 2694985 Specdb::MsMs 2694986 Specdb::MsMs 2986414 Specdb::MsMs 2986415 Specdb::MsMs 2986416 Specdb::MsIr 8155 Specdb::MsIr 8156 Specdb::MsIr 8157 HMDB39428 #<Reference:0x000055ce307edc00> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic