1,2-Diphenylbutan-1-one

C₁₆H₁₆OCAS 16282-16-9224.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₆O
Molar mass: 224.30 g/mol
Exact mass: 224.1201 Da
logP: 4.06Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

16282-16-9

SMILES

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

InChIKey

UHKJKVIZTFFFSB-UHFFFAOYSA-N

InChI

InChI=1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3

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

Names and synonyms

1 names

1,2-Diphenyl-butan-1-one

Work with 1,2-Diphenylbutan-1-one

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

α-Ethylbenzeneacetyl chloride36854-57-659 % similar 2-Phenylbutyric acid90-27-759 % similar (-)-2-Phenylbutyric acid938-79-459 % similar (±)-Benzoin ethyl ether574-09-454 % similar Desyl chloride447-31-452 % similar Benzoin (organic compound)119-53-950 % similar 2-Bromo-1,2-diphenylethanone1484-50-050 % similar Benzoylcyclopropane3481-02-550 % similar

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

Same formula

1-[1,1′-Biphenyl]-4-yl-1-butanone13211-01-3 3-Phenylbutyrophenone1533-20-6 α-Cyclopropyl-α-phenylbenzenemethanol5785-66-0 2,4,6-Trimethylbenzophenone954-16-5

Elsewhere

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