1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one

C8H7FO2CAS 403-14-5154.14 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
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 8 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
403-14-5
SMILES
CC(=O)C1=CC(=C(C=C1)O)F
InChIKey
GSWTXZXGONEVJC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 3'-Fluoro-4'-hydroxyacetophenone

Work with 1-(3-Fluoro-4-hydroxyphenyl)ethan-1-one

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'-Dihydroxyacetophenone1197-09-768 % similar 1-(3,4-Difluorophenyl)ethanone369-33-568 % similar 3-Fluoro-4-hydroxybenzoic acid350-29-862 % similar 4′-Hydroxy-3′-methylacetophenone876-02-862 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-560 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-760 % similar 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-660 % similar 4'-Hydroxy-3'-(trifluoromethyl)acetophenone149105-11-359 % 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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