3-Benzoyl-α-methylbenzeneacetonitrile

C₁₆H₁₃NOCAS 42872-30-0235.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₃NO
Molar mass: 235.29 g/mol
Exact mass: 235.0997 Da
logP: 3.54Crippen estimate
Polar surface area: 40.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

42872-30-0

SMILES

CC(C#N)c1cccc(C(=O)c2ccccc2)c1

InChIKey

RGYOCHMZSLUCNP-UHFFFAOYSA-N

InChI

InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzeneacetonitrile, 3-benzoyl-α-methyl-
2-(3-Benzoylphenyl)propionitrile
2-(m-Benzoylphenyl)propionitrile
2-(3-Benzoylphenyl)propanenitrile

Work with 3-Benzoyl-α-methylbenzeneacetonitrile

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

Same formula

1-Benzyl-1H-indole-3-carbaldehyde10511-51-0 1-Methyl-2-phenyl-1H-indole-3-carboxaldehyde1757-72-8

Elsewhere

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