1.0 2010-04-08 22:04:31 UTC 2025-11-18 22:16:56 UTC FDB000318 Methoxyphenylacetic acid Methoxyphenylacetic acid is a member of the class of compounds known as benzylethers. Benzylethers are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). Methoxyphenylacetic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Methoxyphenylacetic acid can be found in olive, which makes methoxyphenylacetic acid a potential biomarker for the consumption of this food product. (+/-)-alpha-methoxyphenylacetic acid (1)-(Methoxy)phenylacetic acid (methyloxy)(phenyl)acetic acid (r)-(-)-alpha-methoxyphenyl-acetic acid (r)-(-)-alpha-methoxyphenylacetic acid (s)-(-)-alpha-methoxyphenylacetic acid (s)-(+)-alpha-methoxyphenyl-acetic acid α-methoxyphenylacetic acid 2-methoxy-2-phenylacetic acid Acetic acid, methoxyphenyl Acetic acid, methoxyphenyl- Acetic acid, methoxyphenyl- (8CI) Alpha-methoxyphenylacetic acid Benzeneacetic acid, α-methoxy- Benzeneacetic acid, alpha-methoxy- DL-alpha-methoxyphenylacetic acid Methoxy(phenyl)acetic acid MOPA O-methyl-DL-mandelic acid C9H10O3 166.1739 166.062994186 2-methoxy-2-phenylacetic acid methoxy(phenyl)acetic acid 104-01-8 COC(C(O)=O)C1=CC=CC=C1 InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11) DIWVBIXQCNRCFE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). Benzylethers Organic compounds Benzenoids Benzene and substituted derivatives Benzylethers Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzylether Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 0.77 ALOGPS logs -1.20 ALOGPS solubility 1.06e+01 g/l ALOGPS logp 1.54 ChemAxon pka_strongest_acidic 3.86 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-methoxy-2-phenylacetic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles COC(C(O)=O)C1=CC=CC=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11) ChemAxon inchikey DIWVBIXQCNRCFE-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 43.46 ChemAxon polarizability 16.62 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5954 Specdb::MsMs 52398 Specdb::MsMs 52399 Specdb::MsMs 52400 Specdb::MsMs 129675 Specdb::MsMs 129676 Specdb::MsMs 129677 Specdb::MsMs 3597010 Specdb::MsMs 3597011 Specdb::MsMs 3597012 Specdb::MsMs 3597013 Specdb::MsMs 3597014 Specdb::MsMs 3597015 Olive Type 1 specific Olea europaea 4146 2.25 4.5 0.0 mg/100 g