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

C9H9FO2CAS 51788-80-8168.17 g/mol

Open in Covalent MOL file
OFO
Aryl halideEtherKetone

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3 names
  • Ethanone, 1-(4-fluoro-2-methoxyphenyl)-
  • 4′-Fluoro-2′-methoxyacetophenone
  • 1-(4-Fluoro-2-methoxyphenyl)ethan-1-one

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 4'-Fluoro-2'-hydroxyacetophenone1481-27-257 % similar 2-Amino-5-fluoroacetophenone2343-25-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2-Fluorophenyl)propionic acid1643-26-1 2-(2-Fluoro-5-methylphenyl)acetic acid203314-27-6 5'-Fluoro-2'-hydroxypropiophenone443-09-4 Ethyl o-fluorobenzoate443-26-5 5-Fluoro-2-methoxyacetophenone445-82-9 Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4

Elsewhere

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