chempirical

1,4-Diphenyl-2-butene-1,4-dione

C16H12O2CAS 4070-75-1236.27 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C16H12O2
Molar mass
236.27 g/mol
Exact mass
236.0837 Da
Melting point
111 °C
logP
3.31Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
4070-75-1
SMILES
O=C(C=CC(=O)c1ccccc1)c1ccccc1
InChIKey
WYCXGQSQHAXLPK-UHFFFAOYSA-N
InChI
InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H

Weigh it out

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

Names and synonyms

5 names
  • 2-Butene-1,4-dione, 1,4-diphenyl-
  • Dibenzoylethylene
  • 1,2-Dibenzoylethylene
  • 1,2-Dibenzoylethene
  • NSC 28072

Work with 1,4-Diphenyl-2-butene-1,4-dione

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

1-Phenyl-2-buten-1-one495-41-074 % similar trans-Chalcone614-47-174 % similar Chalcone94-41-774 % similar 4-Oxo-4-phenyl-2-butenoic acid583-06-272 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-365 % similar Phenylglyoxal1074-12-065 % similar 4-Hydroxychalcone20426-12-459 % similar 4-Chlorochalcone956-04-759 % similar

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

Same formula

2,3-Dimethylanthraquinone6531-35-7 2-Ethylanthraquinone84-51-5 trans-1,2-Dibenzoylethylene959-28-4

Elsewhere

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