3-(4-Fluorophenoxy)propanoic acid

C₉H₉FO₃CAS 1579-78-8184.17 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: 86 °C
Boiling point: 170–175 °C (at NaN Torr)
logP: 1.68Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

1579-78-8

SMILES

O=C(O)CCOc1ccc(F)cc1

InChIKey

QCEDXODAYRWQRH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

Propanoic acid, 3-(4-fluorophenoxy)-
Propionic acid, 3-(p-fluorophenoxy)-
3-(p-Fluorophenoxy)propionic acid
3-(4-Fluorophenoxy)propionic acid

Work with 3-(4-Fluorophenoxy)propanoic 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

4-Fluorophenoxyacetic acid405-79-870 % similar 3-Phenoxypropionic acid7170-38-967 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-566 % similar 3-(4-Hydroxymethylphenoxy)propionic acid101366-61-464 % similar 4-(4-Fluorophenyl)butanoic acid589-06-056 % similar 4-Fluoro-δ-oxobenzenepentanoic acid149437-76-355 % similar 4-Fluorobenzenepentanoic acid24484-22-854 % similar 3-(4-Fluorobenzoyl)propionic acid366-77-854 % similar

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

Same formula

Methyl 4-fluoro-2-methoxybenzoate204707-42-6 5-Fluoro-2-methoxybenzeneacetic acid383134-85-8 (3-Fluoro-4-methoxyphenyl)acetic acid452-14-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook