chempirical

1,4-Diphenyl-1,4-butanedione

C16H14O2CAS 495-71-6238.29 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C16H14O2
Molar mass
238.29 g/mol
Exact mass
238.0994 Da
Melting point
144–145 °C
logP
3.53Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
495-71-6
SMILES
O=C(CCC(=O)c1ccccc1)c1ccccc1
InChIKey
OSWWFLDIIGGSJV-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2

Weigh it out

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

Names and synonyms

9 names
  • 1,4-Butanedione, 1,4-diphenyl-
  • Biphenacyl
  • Ethane, 1,2-dibenzoyl-
  • 2,2′′-Biacetophenone
  • 1,2-Dibenzoylethane
  • Dibenzoylethane
  • 1,4-Diphenyl-1,4-butadione
  • 1,4-Dioxo-1,4-diphenylbutane
  • NSC 402168

Work with 1,4-Diphenyl-1,4-butanedione

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

1,6-Diphenyl-1,6-hexanedione3375-38-081 % similar Dihydrochalcone1083-30-374 % similar Butyrophenone495-40-971 % similar 3-Chloropropiophenone936-59-471 % similar Valerophenone1009-14-965 % similar 4-Chlorobutyrophenone939-52-665 % similar 2-Aminoacetophenone613-89-865 % similar Hexanophenone942-92-763 % similar

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

Same formula

Benzyl cinnamate103-41-3 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-5 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-9 Dihydro-3,3-diphenyl-2(3H)-furanone956-89-8 4′-Methoxychalcone959-23-9 4-Methoxychalcone959-33-1

Elsewhere

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