chempirical

2-Methoxyphenylacetic acid

C9H10O3CAS 93-25-4166.18 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acidEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
124 °C
logP
1.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
93-25-4
SMILES
COc1ccccc1CC(=O)O
InChIKey
IVEWTCACRDEAOB-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzeneacetic acid, 2-methoxy-
  • Acetic acid, (o-methoxyphenyl)-
  • 2-Methoxybenzeneacetic acid
  • (o-Methoxyphenyl)acetic acid
  • o-Anisylacetic acid
  • NSC 110708
  • NSC 16257
  • [2-(Methyloxy)phenyl]acetic acid

Work with 2-Methoxyphenylacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(2-Methoxyphenyl)propionic acid6342-77-471 % similar 2,5-Dimethoxyphenylacetic acid1758-25-465 % similar 1,2-Benzenediacetic acid7500-53-063 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-862 % similar 2,3,4-Trimethoxybenzeneacetic acid22480-91-762 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-862 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-961 % similar Methyl 2-methoxybenzeneacetate27798-60-361 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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