chempirical

4-Chloro-7-hydroxy-2,3-dihydroinden-1-one

C9H7ClO2CAS 81945-10-0182.60 g/mol

Open in Covalent MOL file
OClHO
Aryl halideKetonePhenol

Properties

Molecular formula
C9H7ClO2
Molar mass
182.60 g/mol
Exact mass
182.0135 Da
logP
2.17Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
81945-10-0
SMILES
C1CC(=O)C2=C(C=CC(=C21)Cl)O
InChIKey
YVNMNVRDMWVUNR-UHFFFAOYSA-N
InChI
InChI=1S/C9H7ClO2/c10-6-2-4-8(12)9-5(6)1-3-7(9)11/h2,4,12H,1,3H2

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Names and synonyms

1 names
  • 4-Chloro-2,3-dihydro-7-hydroxyinden-1-one

Work with 4-Chloro-7-hydroxy-2,3-dihydroinden-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

4-Fluoro-7-hydroxy-1-indanone136191-16-762 % similar 4-Chloroindan-1-one15115-59-051 % similar 4-Hydroxyindan-1-one40731-98-450 % similar 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-647 % similar Malabaricone C63335-25-143 % similar Phloretin60-82-243 % similar Malabaricone B63335-24-042 % similar 5-Hydroxy-1-tetralone28315-93-740 % similar

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

Same formula

1-(4-Chlorophenyl)-1,2-propanedione10557-21-8 (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-6 4-Chlorocinnamic acid1615-02-7 3-(3-Chlorophenyl)-2-propenoic acid1866-38-2 2-Chlorocinnamic acid3752-25-8 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-9 2,3-Dihydro-1-benzofuran-5-carbonyl chloride55745-71-6

Elsewhere

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