trans-Chalcone

C15H12OCAS 614-47-1208.26 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C15H12O
Molar mass
208.26 g/mol
Exact mass
208.0888 Da
Melting point
59 °C
Boiling point
218–222 °C (at 4 Torr)
logP
3.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, P501

Identifiers

CAS number
614-47-1
SMILES
O=C(/C=C/c1ccccc1)c1ccccc1
InChIKey
DQFBYFPFKXHELB-VAWYXSNFSA-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/b12-11+

Weigh it out

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

Names and synonyms

21 names · show all
  • 2-Propen-1-one, 1,3-diphenyl-, (2E)-
  • Chalcone, (E)-
  • 2-Propen-1-one, 1,3-diphenyl-, (E)-
  • (2E)-1,3-Diphenyl-2-propen-1-one
  • trans-Benzalacetophenone
  • trans-1,3-Diphenylpropen-3-one
  • (E)-Chalcone
  • trans-Benzylideneacetophenone
  • (E)-1,3-Diphenylpropen-3-one
  • (E)-1-Benzoyl-2-phenylethylene
  • Phenyl trans-styryl ketone
  • (E)-Benzylideneacetophenone
  • trans-1,3-Diphenyl-2-propen-1-one
  • (E)-1,3-Diphenyl-2-propen-1-one
  • Phenyl (E)-2-phenylethenyl ketone
  • trans-1,3-Diphenylprop-1-en-3-one
  • (E)-1,3-Diphenylpropenone
  • NSC 167107
  • (E)-Benzalacetophenone
  • Phenyl (E)-styryl ketone
  • Chalcone

Work with trans-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 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.

Chalcone94-41-7Stereo not defined

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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