5′-Fluoro-2′-hydroxyacetophenone

C₈H₇FO₂CAS 394-32-1154.14 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed88% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 2,5-Dihydroxyacetophenone490-78-864 % 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 2-Amino-5-fluoroacetophenone2343-25-160 % 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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