chempirical

5′-Fluoro-2′-hydroxyacetophenone

C8H7FO2CAS 394-32-1154.14 g/mol

Open in Covalent MOL file
OFHO
Aryl halideKetonePhenol

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Melting point
56–56.5 °C
Boiling point
94–99 °C (at 12 Torr)
logP
1.73Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
394-32-1
SMILES
CC(=O)c1cc(F)ccc1O
InChIKey
KOFFXZYMDLWRHX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

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

Names and synonyms

8 names
  • Ethanone, 1-(5-fluoro-2-hydroxyphenyl)-
  • Acetophenone, 5′-fluoro-2′-hydroxy-
  • 1-(5-Fluoro-2-hydroxyphenyl)ethanone
  • 2-Acetyl-4-fluorophenol
  • NSC 46624
  • 2′-Hydroxy-5′-fluoroacetophenone
  • 3-Fluoro-6-hydroxyacetophenone
  • 1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one

Work with 5′-Fluoro-2′-hydroxyacetophenone

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-(2,5-Difluorophenyl)ethanone1979-36-864 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-262 % similar 5-Fluorosalicylic acid345-16-462 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-360 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-460 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-560 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-460 % similar 1-(5-Fluoro-2-iodophenyl)ethanone914225-70-060 % 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 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 α-Fluorobenzeneacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 3-Fluorophenylacetic acid331-25-9 2-Fluoro-4-methoxybenzaldehyde331-64-6

Elsewhere

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