chempirical

1-(4-Fluoro-3-methoxyphenyl)ethanone

C9H9FO2CAS 64287-19-0168.17 g/mol

Open in Covalent MOL file
OOF
Aryl halideEtherKetone

Properties

Molecular formula
C9H9FO2
Molar mass
168.17 g/mol
Exact mass
168.0587 Da
logP
2.04Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
64287-19-0
SMILES
COc1cc(C(C)=O)ccc1F
InChIKey
PFEGFUCYOHBDJF-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Ethanone, 1-(4-fluoro-3-methoxyphenyl)-
  • 4-Fluoro-3-methoxyphenyl methyl ketone
  • 4′-Fluoro-3′-methoxyacetophenone
  • 1-(4-Fluoro-3-methoxyphenyl)ethan-1-one

Work with 1-(4-Fluoro-3-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

3,4-Dimethoxyacetophenone1131-62-070 % similar 1-(3,4-Difluorophenyl)ethanone369-33-569 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-265 % similar Apocynin498-02-262 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-958 % similar 3′,4′,5′-Trimethoxyacetophenone1136-86-357 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-457 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-257 % 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 1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-8 2-Fluoro-4-methylbenzeneacetic acid518070-28-5

Elsewhere

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