chempirical

4-Fluoro-7-hydroxy-1-indanone

C9H7FO2CAS 136191-16-7166.15 g/mol

Open in Covalent MOL file
OFHO
Aryl halideKetonePhenol

Properties

Molecular formula
C9H7FO2
Molar mass
166.15 g/mol
Exact mass
166.0430 Da
logP
1.66Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
136191-16-7
SMILES
C1CC(=O)C2=C(C=CC(=C21)F)O
InChIKey
SCUZCYGMCGKOPP-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2

Weigh it out

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

Names and synonyms

1 names
  • 4-Fluoro-7-hydroxy-2,3-dihydro-1H-inden-1-one

Work with 4-Fluoro-7-hydroxy-1-indanone

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

4-Bromo-7-fluoro-2,3-dihydroinden-1-one1003048-72-354 % similar Phloretin60-82-243 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-341 % similar Malabaricone C63335-25-140 % similar Malabaricone B63335-24-039 % similar 1,4,5,8-Tetrahydroxy-9,10-anthracenedione81-60-738 % similar 2′-Hydroxydihydrochalcone3516-95-838 % similar 5-Hydroxy-1-tetralone28315-93-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

7-Fluoro-4-chromanone113209-68-0 trans-4-Fluorocinnamic acid14290-86-9 (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-6 2-Fluoro-3-phenyl-2-propenoic acid350-90-3 3-(2-Fluorophenyl)-2-propenoic acid451-69-4 3-(3-Fluorophenyl)-2-propenoic acid458-46-8 3-(4-Fluorophenyl)-2-propenoic acid459-32-5 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-0

Elsewhere

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