2,5-Dimethoxyphenylacetic acid

C₁₀H₁₂O₄CAS 1758-25-4196.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
Melting point: 125 °C
logP: 1.33Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1758-25-4

SMILES

COc1ccc(OC)c(CC(=O)O)c1

InChIKey

BBZDYQUXRFATHZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 2,5-dimethoxy-
Acetic acid, (2,5-dimethoxyphenyl)-
2,5-Dimethoxybenzeneacetic acid
NSC 74696
2-(2,5-Dimethoxyphenyl)acetic acid

Work with 2,5-Dimethoxyphenylacetic 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-(2,5-Dimethoxyphenyl)propionic acid10538-49-574 % similar 5-Fluoro-2-methoxybenzeneacetic acid383134-85-869 % similar 2-Bromo-4-methoxybenzeneacetic acid66916-99-265 % similar 2-Methoxyphenylacetic acid93-25-465 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-163 % similar 2,3,4-Trimethoxybenzeneacetic acid22480-91-762 % similar 5-Methoxyindoleacetic acid3471-31-660 % similar 7-Methoxy-1-naphthaleneacetic acid6836-22-260 % 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 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1 Methyl 2,4-dimethoxybenzoate2150-41-6

Elsewhere

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