1,2-Bis(4-methylphenyl)-1,2-ethanedione

C₁₆H₁₄O₂CAS 3457-48-5238.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₄O₂
Molar mass: 238.29 g/mol
Exact mass: 238.0994 Da
Melting point: 106–107 °C
Boiling point: 178 °C (at 16 Torr)
logP: 3.37Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

3457-48-5

SMILES

Cc1ccc(C(=O)C(=O)c2ccc(C)cc2)cc1

InChIKey

BCWCEHMHCDCJAD-UHFFFAOYSA-N

InChI

InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Names and synonyms

13 names · show all

1,2-Ethanedione, 1,2-bis(4-methylphenyl)-
p-Tolil
Ethanedione, bis(4-methylphenyl)-
4,4′-Dimethylbenzil
Di-p-tolylethanedione
p,p′-Dimethylbenzil
Di-p-methylbenzil
NSC 22505
Bis(4-methylphenyl)ethanedione
1,2-Bis(p-tolyl)ethane-1,2-dione
1,2-Bis(4-methylphenyl)ethane-1,2-dione
1,2-Bis(4-methylphenyl)ethanedione
1,2-Di-p-tolylethane-1,2-dione

Work with 1,2-Bis(4-methylphenyl)-1,2-ethanedione

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

4,4′-Dimethylbenzophenone611-97-264 % similar P-Methylacetophenone122-00-958 % similar 4-Methylbenzamide619-55-658 % similar 4-Methylbenzoyl chloride874-60-256 % similar P-Toluic acid99-94-556 % similar 4-Methylbenzophenone134-84-954 % similar 4′-Methylpropiophenone5337-93-952 % similar Methyl P-toluate99-75-252 % similar

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

Same formula

Benzyl cinnamate103-41-3 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-9 1,4-Diphenyl-1,4-butanedione495-71-6 Dihydro-3,3-diphenyl-2(3H)-furanone956-89-8 4′-Methoxychalcone959-23-9 4-Methoxychalcone959-33-1

Elsewhere

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