chempirical

1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione

C14H9ClO2CAS 22711-23-5244.67 g/mol

Open in Covalent MOL file
OOCl
Aryl halideKetone

Properties

Molecular formula
C14H9ClO2
Molar mass
244.67 g/mol
Exact mass
244.0291 Da
Melting point
73 °C
Boiling point
163–165 °C (at 0.98 Torr)
logP
3.41Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
22711-23-5
SMILES
O=C(C(=O)c1ccc(Cl)cc1)c1ccccc1
InChIKey
QDCKVAZDINMMHO-UHFFFAOYSA-N
InChI
InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H

Weigh it out

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

Names and synonyms

7 names
  • 1,2-Ethanedione, 1-(4-chlorophenyl)-2-phenyl-
  • Benzil, 4-chloro-
  • Ethanedione, (4-chlorophenyl)phenyl-
  • 4-Chlorobenzil
  • (p-Chlorophenyl)phenylethanedione
  • p-Chlorobenzil
  • 1-(4-Chlorophenyl)-2-phenylethan-1,2-dione

Work with 1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione

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

4,4′-Dichlorobenzil3457-46-382 % similar 4-Chlorobenzophenone134-85-069 % similar 1-(4-Chlorophenyl)-1,2-propanedione10557-21-859 % similar 4,4'-Dichlorobenzophenone90-98-254 % similar 1-(4-Chlorophenyl)-2-phenylethanone1889-71-053 % similar p-Chlorophenyl benzoate2005-08-553 % similar 4-Chlorochalcone956-04-752 % similar 4-Chlorobenzoyl chloride122-01-050 % similar

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

Elsewhere

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