1.0 2010-04-08 22:14:43 UTC 2025-11-19 02:27:06 UTC FDB019973 (S)-2-(4-Methoxyphenoxy)propanoic acid Detected in Arabian coffee as a partial racemate (80% o.p.) C10H12O4 196.1999 196.073558872 2-(4-methoxyphenoxy)propanoic acid 2-(4-methoxyphenoxy)propanoic acid 4276-74-8 COC1=CC=C(OC(C)C(O)=O)C=C1 InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12) MIEKOFWWHVOKQX-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyloxyphenoxypropionic acids. These are aromatic compounds containing a phenoxypropionic acid that is para-substituted with an alkyl group. Alkyloxyphenoxypropionic acids Organic compounds Benzenoids Benzene and substituted derivatives 2-phenoxypropionic acids Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Phenoxyacetic acid derivatives Alkyl aryl ether Alkyloxyphenoxypropionic acid Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenoxyacetate logp 1.86 ALOGPS logs -2.01 ALOGPS solubility 1.90e+00 g/l ALOGPS melting_point Mp 65-66° logp 1.7 ChemAxon pka_strongest_acidic 3.48 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2-(4-methoxyphenoxy)propanoic acid ChemAxon average_mass 196.1999 ChemAxon mono_mass 196.073558872 ChemAxon smiles COC1=CC=C(OC(C)C(O)=O)C=C1 ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3,(H,11,12) ChemAxon inchikey MIEKOFWWHVOKQX-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 49.56 ChemAxon polarizability 19.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19963 Specdb::CMs 46717 Specdb::CMs 171313 Specdb::MsIr 8853 Specdb::MsIr 8854 Specdb::MsIr 8855 Specdb::MsMs 61470 Specdb::MsMs 61471 Specdb::MsMs 61472 Specdb::MsMs 118002 Specdb::MsMs 118003 Specdb::MsMs 118004 Specdb::MsMs 2687516 Specdb::MsMs 2687517 Specdb::MsMs 2687518 Specdb::MsMs 2994008 Specdb::MsMs 2994009 Specdb::MsMs 2994010 HMDB40256 #<Reference:0x000055ce32aa9af0>