3-(4-Hydroxymethylphenoxy)propionic acid

C₁₀H₁₂O₄CAS 101366-61-4196.20 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₂O₄
Molar mass: 196.20 g/mol
Exact mass: 196.0736 Da
logP: 1.03Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Identifiers

CAS number

101366-61-4

SMILES

C1=CC(=CC=C1CO)OCCC(=O)O

InChIKey

WPWKJUVXEMKOHS-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-4,11H,5-7H2,(H,12,13)

Weigh it out

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

Work with 3-(4-Hydroxymethylphenoxy)propionic 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-Phenoxypropionic acid7170-38-965 % similar 3-(4-Fluorophenoxy)propanoic acid1579-78-864 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-564 % similar 4-Ethoxybenzenepropanoic acid4919-34-058 % similar 2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-655 % similar 4-Phenoxybutyric acid6303-58-853 % similar 4-Ethoxybenzyl alcohol6214-44-451 % similar 4-Ethoxybenzeneacetic acid4919-33-951 % similar

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

Same formula

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 Methyl 2,4-dimethoxybenzoate2150-41-6

Elsewhere

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