chempirical

Dibenzylideneacetone

C17H14OCAS 538-58-9234.30 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C17H14O
Molar mass
234.30 g/mol
Exact mass
234.1045 Da
Melting point
113 °C (decomposes)
logP
3.98Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
538-58-9
SMILES
O=C(C=Cc1ccccc1)C=Cc1ccccc1
InChIKey
WMKGGPCROCCUDY-UHFFFAOYSA-N
InChI
InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,4-Pentadien-3-one, 1,5-diphenyl-
  • 3-Pentadienone, 1,5-diphenyl-
  • 1,5-Diphenyl-1,4-pentadien-3-one
  • Dibenzalacetone
  • Distyryl ketone
  • Styrol ketone
  • 1,5-Diphenyl-3-pentadienone
  • Bis(2-phenylvinyl) ketone
  • Bis(2-phenylethenyl) ketone
  • 1,5-Diphenyl-1,4-pentadienone
  • NSC 117234
  • NSC 623642
  • NSC 8103

Work with Dibenzylideneacetone

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

Bis(dibenzylideneacetone)palladium32005-36-087 % similar Tris(dibenzylideneacetone)dipalladium(0)51364-51-387 % similar Tris(dibenzylideneacetone)dipalladium52409-22-087 % similar Tris(dibenzylideneacetone)dipalladium60748-47-287 % similar Dicinnamalacetone622-21-972 % similar Tris(dibenzylideneacetone)dipalladium chloroform adduct52522-40-469 % similar trans-Chalcone614-47-162 % similar Chalcone94-41-762 % similar

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

Same formula

(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-7 Benzyl 2-naphthyl ether613-62-7 1,5-Diphenyl-2,4-pentadien-1-one614-57-3

Elsewhere

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