5'-Fluoro-2'-hydroxypropiophenone

C9H9FO2CAS 443-09-4168.17 g/mol

Open in Covalent MOL file
OFHO
Aryl halideKetonePhenol

Properties

Molecular formula
C9H9FO2
Molar mass
168.17 g/mol
Exact mass
168.0587 Da
logP
2.12Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
443-09-4
SMILES
CCC(=O)C1=C(C=CC(=C1)F)O
InChIKey
OLVYYKLFIUGMCW-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3

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Names and synonyms

1 names
  • 1-(5-Fluoro-2-hydroxyphenyl)propan-1-one

Work with 5'-Fluoro-2'-hydroxypropiophenone

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-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-568 % similar 1-(2,5-Difluorophenyl)-1-propanone29112-90-167 % similar 2',5'-Dihydroxypropiophenone938-46-567 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-062 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-159 % similar 2'-Hydroxypropiophenone610-99-158 % similar 5-Fluorosalicylic acid345-16-457 % similar Methyl 5-fluoro-2-hydroxybenzoate391-92-455 % 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 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 3-(3-Fluorophenyl)propionic acid458-45-7

Elsewhere

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