4-Methyl-1-phenyl-2-pentanone

C₁₂H₁₆OCAS 5349-62-2176.26 g/mol

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Properties

Molecular formula: C₁₂H₁₆O
Molar mass: 176.26 g/mol
Exact mass: 176.1201 Da
Density: 0.969 g/mL (at 40 °C)
Boiling point: 250.5 °C
logP: 2.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

5349-62-2

SMILES

CC(C)CC(=O)Cc1ccccc1

InChIKey

DTYGTEGDVPAKDA-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

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

Names and synonyms

4 names

2-Pentanone, 4-methyl-1-phenyl-
Benzyl isobutyl ketone
Isobutyl benzyl ketone
NSC 1268

Work with 4-Methyl-1-phenyl-2-pentanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzyl ketone102-04-563 % similar 1-Phenyl-2-butanone1007-32-558 % similar Isobutyl phenylacetate102-13-653 % similar Benzyl isovalerate103-38-853 % similar Phenylethyl isovalerate140-26-153 % similar Isobutyl ketone108-83-852 % similar 3-Methyl-1-phenyl-2-butanone2893-05-252 % similar Isoamyl phenylacetate102-19-250 % similar

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

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 4-Cyclohexylphenol1131-60-8 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 1-Phenyl-2-hexanone25870-62-6 1-Phenyl-3-hexanone29898-25-7

Elsewhere

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