chempirical

(4-Chlorophenyl)cyclopropylmethanone

C10H9ClOCAS 6640-25-1180.63 g/mol

Open in Covalent MOL file
OCl
Aryl halideKetone

Properties

Molecular formula
C10H9ClO
Molar mass
180.63 g/mol
Exact mass
180.0342 Da
Melting point
23–24 °C
Boiling point
132–133 °C (at 10 Torr)
logP
2.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
6640-25-1
SMILES
O=C(c1ccc(Cl)cc1)C1CC1
InChIKey
OPSFCTBBDIDFJM-UHFFFAOYSA-N
InChI
InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2

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Names and synonyms

7 names
  • Methanone, (4-chlorophenyl)cyclopropyl-
  • Ketone, p-chlorophenyl cyclopropyl
  • p-Chlorophenyl cyclopropyl ketone
  • 4-Chlorophenyl cyclopropyl ketone
  • (p-Chlorobenzoyl)cyclopropane
  • Cyclopropyl 4-chlorophenyl ketone
  • NSC 49315

Work with (4-Chlorophenyl)cyclopropylmethanone

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

Benzoylcyclopropane3481-02-561 % similar (4-Bromophenyl)cyclopropylmethanone6952-89-260 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-660 % similar 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-256 % similar Cyclopropyl(4-methoxyphenyl)methanone7152-03-655 % similar Cyclobutyl phenyl ketone5407-98-752 % similar Cyclopentyl phenyl ketone5422-88-852 % similar 4,4′-Dichlorobenzil3457-46-350 % similar

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

Same formula

6-Chloro-1-tetralone26673-31-4 7-Chloro-3,4-dihydro-1(2H)-naphthalenone26673-32-5 4-(4-Chlorophenyl)-3-buten-2-one3160-40-5

Elsewhere

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