Chalcone

C15H12OCAS 94-41-7208.26 g/mol

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O
AlkeneKetone

Properties

Molecular formula
C15H12O
Molar mass
208.26 g/mol
Exact mass
208.0888 Da
Melting point
57.5 °C
Boiling point
346.5 °C
logP
3.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
94-41-7
SMILES
O=C(C=Cc1ccccc1)c1ccccc1
InChIKey
DQFBYFPFKXHELB-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H

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Names and synonyms

29 names · show all
  • 2-Propen-1-one, 1,3-diphenyl-
  • 1,3-Diphenyl-2-propen-1-one
  • Benzalacetophenone
  • β-Benzoylstyrene
  • Benzylideneacetophenone
  • Chalkone
  • Cinnamophenone
  • 3-Phenylacrylophenone
  • Phenyl styryl ketone
  • β-Phenylacrylophenone
  • 2-Benzylideneacetophenone
  • 1,3-Diphenyl-1-propen-3-one
  • Benzylidenecetophenone
  • 1-Phenyl-2-benzoylethylene
  • 2-Benzalacetophenone
  • α-Benzylideneacetophenone
  • 1-Benzoyl-2-phenylethene
  • Phenyl 2-phenylvinyl ketone
  • 1,3-Diphenylpropenone
  • Styryl phenyl ketone
  • 1-Benzoyl-2-phenylethylene
  • ω-Benzylideneacetophenone
  • 1,3-Diphenyl-2-propenone
  • 1,3-Diphenylpropen-3-one
  • BAP
  • Phenyl 2-phenylethenyl ketone
  • NSC 26612
  • NSC 4523
  • 1,3-Diphenyl-3-oxo-1-propene

Reactions

Work with Chalcone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

trans-Chalcone614-47-1Defined stereoisomer

Similar compounds

1,5-Diphenyl-2,4-pentadien-1-one614-57-374 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-174 % similar trans-1,2-Dibenzoylethylene959-28-474 % similar 4-Fluorochalcone1608-51-172 % similar 4-Hydroxychalcone20426-12-472 % similar 4′-Hydroxychalcone2657-25-272 % similar 4'-Fluorochalcone399-10-072 % similar 4'-Chlorochalcone956-02-572 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzosuberone1210-35-1 9-Anthracenemethanol1468-95-7 (±)-3-Phenyl-1-indanone16618-72-7 Diphenylethynylcarbinol3923-52-2 2-Acetyl-9H-fluorene781-73-7

Elsewhere

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