3,5-Dimethoxy-4-hydroxyphenylacetic acid

C₁₀H₁₂O₅CAS 4385-56-2212.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Phenol

Properties

Molecular formula: C₁₀H₁₂O₅
Molar mass: 212.20 g/mol
Exact mass: 212.0685 Da
Melting point: 130–131 °C
logP: 1.04Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed87% of notifiers
H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4385-56-2

SMILES

COc1cc(CC(=O)O)cc(OC)c1O

InChIKey

BQBQKSSTFGCRQL-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names

Benzeneacetic acid, 4-hydroxy-3,5-dimethoxy-
Acetic acid, (4-hydroxy-3,5-dimethoxyphenyl)-
4-Hydroxy-3,5-dimethoxybenzeneacetic acid
Homosyringic acid
4-Hydroxy-3,5-dimethoxyphenylacetic acid
2-(4-Hydroxy-3,5-dimethoxyphenyl)acetic acid

Work with 3,5-Dimethoxy-4-hydroxyphenylacetic 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-Bromo-4-hydroxy-5-methoxyphenylacetic acid206559-42-478 % similar 3,4,5-Trimethoxyphenylacetic acid951-82-674 % similar (3,4-Dimethoxyphenyl)acetic acid93-40-367 % similar Homovanillic acid306-08-166 % similar (3,5-Dimethoxyphenyl)acetic acid4670-10-463 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-862 % similar 4-Methoxy-3-methylphenylacetic acid4513-73-957 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-257 % similar

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

Same formula

Eudesmic acid118-41-2 Propyl gallate121-79-9 2,4,5-Trimethoxybenzoic acid490-64-2 Diethyl 2,5-furandicarboxylate53662-83-2 2,4,6-Trimethoxybenzoic acid570-02-5 2,3,4-Trimethoxybenzoic acid573-11-5 Methyl 3-hydroxy-4,5-dimethoxybenzoate83011-43-2 Methyl syringate884-35-5

Elsewhere

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