Methoxyphenylacetic acid
PubChem CID: 107202
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| Compound Synonyms | 2-methoxy-2-phenylacetic acid, 7021-09-2, Methoxyphenylacetic acid, DL-alpha-METHOXYPHENYLACETIC ACID, Methoxy(phenyl)acetic acid, 1701-77-5, MOPA, alpha-Methoxyphenylacetic acid, Acetic acid, methoxyphenyl-, O-Methyl-DL-mandelic acid, Benzeneacetic acid, .alpha.-methoxy-, 2-methoxy-2-phenyl-acetic acid, a-methoxyphenylacetic acid, MFCD00064217, DL-, A-Methoxyphenylacetic Acid, DTXSID9020829, DL-I+/--Methoxyphenylacetic Acid, Benzeneacetic acid, alpha-methoxy-, NSC-5665, DL-Methoxyphenylacetic acid, DTXCID90829, MAT0P17A95, .alpha.-Methoxyphenylacetic acid, NSC 5665, EINECS 247-492-5, (+/-)-2-Methoxy-2-phenylacetic acid, (S)-(-)-alpha-Methoxyphenylacetic acid, METHOXYPHENYLACETIC ACID, (+/-)-, (RS)-2-METHOXY-2-PHENYLACETIC ACID, VL35DS7HGX, WA8N5X9TFK, Methoxyphenylacetic acid, (+)-, Methoxyphenylacetic acid, (-)-, alpha-Methoxybenzeneacetic acid, (methyloxy)(phenyl)acetic acid, EINECS 223-580-9, MFCD00064216, MPA cpd, (r)-(-)-a-methoxyphenylacetic acid, (R)-(-)-.alpha.-Methoxyphenylacetic acid, Benzeneacetic acid, .alpha.-methoxy-, (R)-, Benzeneacetic acid, .alpha.-methoxy-, (S)-, methoxy phenylacetic acid, methoxy-phenylacetic acid, UNII-VL35DS7HGX, UNII-WA8N5X9TFK, DL-O-Methylmandelic Acid, Acetic acid, methoxyphenyl, Bionet2_000356, , A-Methoxyphenylacetic acid, UNII-MAT0P17A95, SCHEMBL155984, ()-(methoxy)phenylacetic acid, (1)-(Methoxy)phenylacetic acid, CHEMBL3182106, NSC5665, CHEBI:167718, (+/-)-a-Methoxyphenylacetic acid, HMS1365A04, (-)-alpha-methoxyphenylacetic acid, ALBB-024878, (RS)-alpha-Methoxyphenylacetic acid, EINECS 216-933-3, EINECS 230-300-9, Tox21_301985, alpha-Methoxyphenylacetic acid, 99%, STL169379, (+/-)-alpha-Methoxyphenylacetic acid, AKOS000113715, AKOS016339674, CS-W010811, SB10521, (+/-)- alpha -Methoxyphenylacetic acid, NCGC00255165-01, FM182852, SY012964, SY013786, SY021799, (+)-alpha-methoxy-alpha-phenylacetic acid, CAS-1701-77-5, AI3-19941, DB-055391, DB-360599, M0837, NS00015555, EN300-42701, (+/-)-.ALPHA.-METHOXYPHENYLACETIC ACID, (+/-)-alpha-Methoxyphenylacetic acid, crystalline, 12N-121, Benzeneacetic acid, .alpha.-methoxy-, (.+/-.)-, Q27283784, Z316258914 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Description | 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 150.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-2-phenylacetic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Is Pains | False |
| Molecular Formula | C9H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIWVBIXQCNRCFE-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Rotatable Bond Count | 3.0 |
| Synonyms | (+/-)-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, &alpha, -methoxyphenylacetic acid, 2-methoxy-2-phenylacetic acid, Acetic acid, methoxyphenyl, Acetic acid, methoxyphenyl-, Acetic acid, methoxyphenyl- (8CI), Alpha-methoxyphenylacetic acid, Benzeneacetic acid, &alpha, -methoxy-, Benzeneacetic acid, alpha-methoxy-, DL-alpha-methoxyphenylacetic acid, Methoxy(phenyl)acetic acid, MOPA, O-methyl-DL-mandelic acid |
| Compound Name | Methoxyphenylacetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.063 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 166.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 166.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3635912000000001 |
| Inchi | InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11) |
| Smiles | COC(C1=CC=CC=C1)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients