1,4-Dibenzoylbenzene

C20H14O2CAS 3016-97-5286.33 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C20H14O2
Molar mass
286.33 g/mol
Exact mass
286.0994 Da
Melting point
160–161 °C
logP
4.15Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3016-97-5
SMILES
O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1
InChIKey
NPENBPVOAXERED-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O2/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)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

12 names
  • Methanone, 1,1′-(1,4-phenylene)bis[1-phenyl-
  • Benzene, p-dibenzoyl-
  • Methanone, 1,4-phenylenebis[phenyl-
  • 1,1′-(1,4-Phenylene)bis[1-phenylmethanone]
  • Terephthalophenone
  • p-Benzoylbenzophenone
  • p-Dibenzoylbenzene
  • 4-Benzoylbenzophenone
  • NSC 631643
  • 1,4-Phenylenebis(phenylmethanone)
  • (4-Benzoylphenyl)-phenylmethanone
  • (4-Benzoyl-phenyl)-phenyl-methanone

Work with 1,4-Dibenzoylbenzene

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

Benzophenone119-61-994 % similar 4-Phenylbenzophenone2128-93-080 % similar 1,3,5-Tribenzoylbenzene25871-69-679 % similar 4-Aminobenzophenone1137-41-373 % similar 4-Hydroxybenzophenone1137-42-473 % similar 4-Methylbenzophenone134-84-973 % similar 4-Chlorobenzophenone134-85-073 % similar 4-Fluorobenzophenone345-83-573 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dibenzoylbenzene1159-86-0 (+)-BINOL18531-94-7 (-)-Binol18531-99-2 1,3-Dibenzoylbenzene3770-82-9 1,1′-Bi-2-naphthol602-09-5

Elsewhere

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