1-(4-Fluoro-2-methoxyphenyl)ethanone

C₉H₉FO₂CAS 51788-80-8168.17 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₉H₉FO₂
Molar mass: 168.17 g/mol
Exact mass: 168.0587 Da
Melting point: 50–51.5 °C
logP: 2.04Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

51788-80-8

SMILES

COc1cc(F)ccc1C(C)=O

InChIKey

YOXBPWVWNQROBJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO2/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

2 names

Ethanone, 1-(4-fluoro-2-methoxyphenyl)-
4′-Fluoro-2′-methoxyacetophenone

Work with 1-(4-Fluoro-2-methoxyphenyl)ethanone

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

2′,4′-Dimethoxyacetophenone829-20-966 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-665 % similar 4-Fluoro-2-methoxybenzoic acid395-82-465 % similar 1-(2,4-Difluorophenyl)ethanone364-83-065 % similar 2′-Methoxyacetophenone579-74-857 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-957 % similar 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-257 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-657 % similar

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

Same formula

Ethyl o-fluorobenzoate443-26-5 Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4 3-(3-Fluorophenyl)propionic acid458-45-7 3-(4-Fluorophenyl)propionic acid459-31-4 2-Fluoro-4-methylbenzeneacetic acid518070-28-5 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook