chempirical

1-[4-(1,1-Dimethylethyl)phenyl]-1-propanone

C13H18OCAS 71209-71-7190.29 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C13H18O
Molar mass
190.29 g/mol
Exact mass
190.1358 Da
Boiling point
83 °C (at 0.15 Torr)
logP
3.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
71209-71-7
SMILES
CCC(=O)c1ccc(C(C)(C)C)cc1
InChIKey
AQNYEAINONORRY-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-
  • 4′-tert-Butylpropiophenone
  • p-tert-Butylpropiophenone
  • 4-tert-Butylpropiophenone
  • 1-[4-(tert-Butyl)phenyl]propan-1-one
  • 1-(4-tert-Butylphenyl)propan-1-one
  • Propiophenone, 4′-tert-butyl-
  • 4-(1,1-Dimethylethyl)propiophenone

Work with 1-[4-(1,1-Dimethylethyl)phenyl]-1-propanone

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

2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone21886-62-466 % similar 4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone43076-61-558 % similar 4′-Methylpropiophenone5337-93-958 % similar Avobenzone70356-09-157 % similar Propiophenone93-55-057 % similar 4′-Bromopropiophenone10342-83-356 % similar 1-(4-Fluorophenyl)-1-propanone456-03-156 % similar 1-(4-Chlorophenyl)-1-propanone6285-05-856 % similar

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

Same formula

Cyclamen aldehyde103-95-7 2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran142874-81-5 2-Cyclohexyl-5-methylphenol1596-13-0 Heptanophenone1671-75-6 Bourgeonal18127-01-0 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-9 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one23696-85-7 1-(4-Pentylphenyl)ethanone37593-02-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook