1.0 2011-09-21 00:20:18 UTC 2015-10-09 22:31:29 UTC FDB022832 4-Methoxyphenylacetic acid 4-Methoxyphenylacetic acid is a 4-O-Methylated catecholamine metabolite found in normal human urine, cerebrospinal fluid and brain tissue. (PMIDs 6511847, 4645252, 12416886) [HMDB] (4-Methoxy-phenyl)-acetate (4-Methoxy-phenyl)-acetic acid (4-Methoxyphenyl)acetate (4-Methoxyphenyl)acetic acid (p-Methoxyphenyl)acetate (p-Methoxyphenyl)acetic acid 2-(p-Anisyl)acetate 2-(p-Anisyl)acetic acid 4-Methoxy phenylacetic acid 4-methoxy-benzeneacetate 4-methoxy-benzeneacetic acid 4-Methoxybenzeneacetate 4-Methoxybenzeneacetic acid 4-Methoxyphenylacetate Homo-p-anisic acid Homoanisate Homoanisic acid p-Methoxy-a-toluate p-Methoxy-a-toluic acid p-Methoxy-alpha-toluate p-Methoxy-alpha-toluic acid P-Methoxy-α-toluate P-Methoxy-α-toluic acid p-methoxyphenyl-acetate p-methoxyphenyl-acetic acid P-Methoxyphenylacetate P-Methoxyphenylacetic acid C9H10O3 166.1739 166.062994186 2-(4-methoxyphenyl)acetic acid 4-methoxyphenylacetic acid 104-01-8 COC1=CC=C(CC(O)=O)C=C1 InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) NRPFNQUDKRYCNX-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic homomonocyclic compounds Alkyl aryl ethers Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound monocarboxylic acid monomethoxybenzene Solid logp 1.73 ALOGPS logs -2.07 ALOGPS solubility 1.43e+00 g/l ALOGPS logp 1.45 ChemAxon pka_strongest_acidic 4.12 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-(4-methoxyphenyl)acetic acid ChemAxon average_mass 166.1739 ChemAxon mono_mass 166.062994186 ChemAxon smiles COC1=CC=C(CC(O)=O)C=C1 ChemAxon formula C9H10O3 ChemAxon inchi InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) ChemAxon inchikey NRPFNQUDKRYCNX-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 43.83 ChemAxon polarizability 16.86 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1786 Specdb::MsIr 1586 Specdb::MsIr 1587 Specdb::MsIr 1588 Specdb::CMs 14596 Specdb::CMs 29674 Specdb::CMs 38255 Specdb::CMs 99750 Specdb::CMs 149776 Specdb::MsMs 1981 Specdb::MsMs 1982 Specdb::MsMs 1983 Specdb::MsMs 298264 Specdb::MsMs 298265 Specdb::MsMs 298266 Specdb::MsMs 339997 Specdb::MsMs 339998 Specdb::MsMs 339999 Specdb::MsMs 2746366 Specdb::MsMs 2746367 Specdb::MsMs 2746368 Specdb::MsMs 2932122 Specdb::MsMs 2932123 Specdb::MsMs 2932124 Specdb::NmrOneD 1846 HMDB02072 #<Reference:0x000055ce32e271a0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823