chempirical

2-Methyl-3-phenylpropionaldehyde

C10H12OCAS 5445-77-2148.20 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
logP
2.06Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
5445-77-2
SMILES
CC(CC1=CC=CC=C1)C=O
InChIKey
HEPHYCJJLAUKSB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Methyl-3-phenylpropanal
  • Benzenepropanal, .alpha.-methyl-
  • Benzenepropanal, alpha-methyl-
  • 2-Methyl-3-phenyl-propanal
  • Propanal, 2-methyl-3-phenyl-
  • Alpha-Methylbenzenepropanal
  • 3-Phenyl-2-methylpropionaldehyde
  • 2-Methyl-3-phenyl-propionaldehyde

Work with 2-Methyl-3-phenylpropionaldehyde

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

Cyclamen aldehyde103-95-765 % similar Lilial80-54-661 % similar Helional1205-17-051 % similar Isobutylbenzene538-93-250 % similar 1-Phenyl-2-propanol14898-87-445 % similar (S)-1-Phenyl-2-propanol1517-68-645 % similar 2-Bromo-1-phenylpropane2114-39-845 % similar Amphetamine300-62-945 % 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 Benzylacetone2550-26-7

Elsewhere

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