4-Acetyl-3-fluorophenol

C8H7FO2CAS 98619-07-9154.14 g/mol

Open in Covalent MOL file
OOHF
Aryl halideKetonePhenol

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Melting point
120–121 °C
logP
1.73Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
98619-07-9
SMILES
CC(=O)c1ccc(O)cc1F
InChIKey
ZCZIRBNZMFUCOH-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(2-fluoro-4-hydroxyphenyl)-
  • 1-(2-Fluoro-4-hydroxyphenyl)ethanone
  • 2′-Fluoro-4′-hydroxyacetophenone
  • 1-(2-Fluoro-4-hydroxyphenyl)-1-ethanone
  • 3-Fluoro-4-acetylphenol
  • 2'-Fluoro-4'-hydroxyacetophenone

Work with 4-Acetyl-3-fluorophenol

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

1-(4-Bromo-2-fluorophenyl)ethan-1-one625446-22-265 % similar 1-(2,4-Difluorophenyl)ethanone364-83-064 % similar 2′,4′-Dihydroxyacetophenone89-84-964 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-362 % similar 4′-Hydroxy-2′-methylacetophenone875-59-262 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-860 % similar 1-(2-Bromo-4-hydroxyphenyl)ethanone61791-99-960 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 4'-Fluoro-2'-hydroxyacetophenone1481-27-2 Fluorophenylacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

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