chempirical

4-Chlorochalcone

C15H11ClOCAS 956-04-7242.70 g/mol

Open in Covalent MOL file
OCl
AlkeneAryl halideKetone

Properties

Molecular formula
C15H11ClO
Molar mass
242.70 g/mol
Exact mass
242.0498 Da
Melting point
115–116 °C
logP
4.24Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
956-04-7
SMILES
O=C(C=Cc1ccc(Cl)cc1)c1ccccc1
InChIKey
ABGIIXRNMHUKII-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H

Weigh it out

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

Names and synonyms

13 names · show all
  • 2-Propen-1-one, 3-(4-chlorophenyl)-1-phenyl-
  • Chalcone, 4-chloro-
  • 3-(4-Chlorophenyl)-1-phenyl-2-propen-1-one
  • 2-(4-Chlorobenzylidene)acetophenone
  • p-Chlorostyryl phenyl ketone
  • p-Chlorochalcone
  • 1-Phenyl-3-(4-chlorophenyl)prop-2-en-1-one
  • (4-Chlorobenzylidene)acetophenone
  • 3-(p-Chlorophenyl)-1-phenyl-2-propen-1-one
  • 4-Chlorostyryl phenyl ketone
  • NSC 2643
  • NSC 636920
  • 1-Phenyl-3-(4-chlorophenyl)-2-propenone

Work with 4-Chlorochalcone

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

trans-Chalcone614-47-172 % similar Chalcone94-41-772 % similar 4-Hydroxychalcone20426-12-465 % similar 4-Methoxychalcone959-33-159 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-159 % similar trans-1,2-Dibenzoylethylene959-28-459 % similar 4-Nitrochalcone1222-98-656 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-356 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook