(3-Fluoro-4-methoxyphenyl)acetic acid

C₉H₉FO₃CAS 452-14-2184.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₉FO₃
Molar mass: 184.17 g/mol
Exact mass: 184.0536 Da
Melting point: 116 °C
logP: 1.46Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

452-14-2

SMILES

COc1ccc(CC(=O)O)cc1F

InChIKey

VURNBRZIFABCRU-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Benzeneacetic acid, 3-fluoro-4-methoxy-
Acetic acid, (3-fluoro-4-methoxyphenyl)-
3-Fluoro-4-methoxybenzeneacetic acid
2-(3-Fluoro-4-methoxyphenyl)acetic acid

Work with (3-Fluoro-4-methoxyphenyl)acetic 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-Dimethoxyphenyl)acetic acid93-40-375 % similar 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-869 % similar (3,4-Difluorophenyl)acetic acid658-93-569 % similar Homovanillic acid306-08-165 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-864 % similar 3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid347-63-761 % similar 3-Fluoro-4-hydroxybenzeneacetic acid458-09-359 % similar 3,4,5-Trimethoxyphenylacetic acid951-82-659 % similar

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

Same formula

3-(4-Fluorophenoxy)propanoic acid1579-78-8 Methyl 4-fluoro-2-methoxybenzoate204707-42-6 5-Fluoro-2-methoxybenzeneacetic acid383134-85-8

Elsewhere

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