chempirical

2-(2,4-Dimethoxyphenyl)acetic acid

C10H12O4CAS 6496-89-5196.20 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acidEther

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
logP
1.33Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6496-89-5
SMILES
COC1=CC(=C(C=C1)CC(=O)O)OC
InChIKey
ZFXFMGARFHRTTO-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-13-8-4-3-7(5-10(11)12)9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)

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Names and synonyms

1 names
  • 2,4-Dimethoxyphenylacetic acid

Work with 2-(2,4-Dimethoxyphenyl)acetic 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

2-Bromo-4-methoxybenzeneacetic acid66916-99-269 % similar 2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-069 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-168 % similar (2,4-Dimethoxyphenyl)acetone831-29-866 % similar 2-Methoxyphenylacetic acid93-25-465 % similar 2,3,4-Trimethoxybenzeneacetic acid22480-91-762 % similar 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-561 % similar 5-Methoxyindoleacetic acid3471-31-660 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0

Elsewhere

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