chempirical

2,5-Diphenyl-2,5-cyclohexadiene-1,4-dione

C18H12O2CAS 844-51-9260.29 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C18H12O2
Molar mass
260.29 g/mol
Exact mass
260.0837 Da
Melting point
214 °C
logP
3.31Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
844-51-9
SMILES
O=C1C=C(c2ccccc2)C(=O)C=C1c1ccccc1
InChIKey
QYXHDJJYVDLECA-UHFFFAOYSA-N
InChI
InChI=1S/C18H12O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H

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Names and synonyms

7 names
  • 2,5-Cyclohexadiene-1,4-dione, 2,5-diphenyl-
  • p-Benzoquinone, 2,5-diphenyl-
  • Quinone, 2,5-diphenyl-
  • 2,5-Diphenyl-p-benzoquinone
  • 2,5-Diphenyl-1,4-benzoquinone
  • Stearer DPQ
  • NSC 8725

Work with 2,5-Diphenyl-2,5-cyclohexadiene-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

Phenylmaleic anhydride36122-35-748 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-146 % similar trans-1,2-Dibenzoylethylene959-28-446 % similar 1,4-Dibenzoylbenzene3016-97-544 % similar Alpha-phenylcinnamic acid91-48-544 % similar Phenylglyoxal1074-12-043 % similar Benzoyl bromide618-32-642 % similar N,N-Dimethylbenzamide611-74-541 % similar

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

Elsewhere

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