4-Ethoxy-3-methoxybenzeneacetic acid

C₁₁H₁₄O₄CAS 120-13-8210.23 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₄O₄
Molar mass: 210.23 g/mol
Exact mass: 210.0892 Da
Melting point: 183–185 °C
logP: 1.72Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

120-13-8

SMILES

CCOc1ccc(CC(=O)O)cc1OC

InChIKey

XVNXRPVJRCYHEW-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O4/c1-3-15-9-5-4-8(7-11(12)13)6-10(9)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)

Weigh it out

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

Names and synonyms

6 names

Benzeneacetic acid, 4-ethoxy-3-methoxy-
Acetic acid, (4-ethoxy-3-methoxyphenyl)-
(4-Ethoxy-3-methoxyphenyl)acetic acid
2-(4-Ethoxy-3-methoxyphenyl)acetic acid
NSC 62696
4-Ethoxy-3-methoxyphenylacetic acid

Work with 4-Ethoxy-3-methoxybenzeneacetic 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

3,4-Diethoxybenzeneacetic acid38464-04-984 % similar (3,4-Dimethoxyphenyl)acetic acid93-40-378 % similar 3-Ethoxy-4-hydroxybenzeneacetic acid80018-50-469 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-864 % similar Homovanillic acid306-08-164 % similar 4-Methoxy-3-methylphenylacetic acid4513-73-964 % similar (3-Fluoro-4-methoxyphenyl)acetic acid452-14-264 % similar 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid99469-99-563 % similar

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

Same formula

3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-4 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-5 3',4',5'-Trimethoxyacetophenone1136-86-3 2',3',4'-Trimethoxyacetophenone13909-73-4 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-2 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3 3,4-Diethoxybenzoic acid5409-31-4 2,4-Dihydroxy-6-propyl-benzoic acid methyl ester55382-52-0

Elsewhere

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