chempirical

Benzylacetone

C10H12OCAS 2550-26-7148.20 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
Density
0.9877 g/mL (at 40 °C)
Melting point
−13 °C
Boiling point
233.5 °C
logP
2.21Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
2550-26-7
SMILES
CC(=O)CCc1ccccc1
InChIKey
AKGGYBADQZYZPD-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

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

Names and synonyms

9 names
  • 2-Butanone, 4-phenyl-
  • 4-Phenyl-2-butanone
  • 1-Phenyl-3-butanone
  • Methyl phenethyl ketone
  • Methyl 2-phenylethyl ketone
  • Phenethyl methyl ketone
  • 2-Phenylethyl methyl ketone
  • NSC 44829
  • NSC 813

Work with Benzylacetone

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

Phenylacetone103-79-765 % similar Raspberry ketone5471-51-262 % similar 4-(4-Methoxyphenyl)-2-butanone104-20-158 % similar 1-[(Phenylmethyl)thio]-2-propanone10230-69-055 % similar 4-(P-Acetoxyphenyl)-2-butanone3572-06-355 % similar Dihydrochalcone1083-30-352 % similar Benzenepropanoyl chloride645-45-452 % similar Methyl 3-phenylpropionate103-25-352 % similar

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

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Cuminaldehyde122-03-2 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(2,5-Dimethylphenyl)ethanone2142-73-6 4-Propylbenzaldehyde28785-06-0

Elsewhere

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