1,4-Bis(phenylglyoxaloyl)benzene

C₂₂H₁₄O₄CAS 3363-97-1342.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₁₄O₄
Molar mass: 342.35 g/mol
Exact mass: 342.0892 Da
logP: 3.82Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

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

Identifiers

CAS number

3363-97-1

SMILES

C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3

InChIKey

FUEGWHHUYNHBNI-UHFFFAOYSA-N

InChI

InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H

Weigh it out

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Names and synonyms

1 names

1-[4-(2-Oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione

Work with 1,4-Bis(phenylglyoxaloyl)benzene

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

Benzil134-81-694 % similar 1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione22711-23-573 % similar 1-Phenyl-1,2-propanedione579-07-761 % similar Phenylglyoxylic acid611-73-461 % similar 1,4-Dibenzoylbenzene3016-97-560 % similar Benzophenone119-61-955 % similar 4,4′-Dichlorobenzil3457-46-355 % similar 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-555 % similar

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

Elsewhere

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