3-Ethoxy-4-hydroxybenzeneacetic acid

C₁₀H₁₂O₄CAS 80018-50-4196.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Phenol

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
logP: 1.42Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

80018-50-4

SMILES

CCOc1cc(CC(=O)O)ccc1O

InChIKey

QVXSHYZATYQYGE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzeneacetic acid, 3-ethoxy-4-hydroxy-
3-Ethoxy-4-hydroxyphenylacetic acid
2-(3-Ethoxy-4-hydroxyphenyl)acetic acid

Work with 3-Ethoxy-4-hydroxybenzeneacetic 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 acid38464-04-976 % similar Homovanillic acid306-08-170 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-869 % similar 3-Ethoxy-4-(ethoxycarbonyl)benzeneacetic acid99469-99-564 % similar 3,4-Dihydroxyphenylacetic acid102-32-961 % similar 4-Ethoxybenzeneacetic acid4919-33-960 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-858 % similar 1,3-Benzodioxole-5-acetic acid2861-28-156 % 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 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook