chempirical

2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone

C12H15ClOCAS 21886-62-4210.70 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C12H15ClO
Molar mass
210.70 g/mol
Exact mass
210.0811 Da
Boiling point
142–146 °C (at 1 Torr)
logP
3.41Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
21886-62-4
SMILES
CC(C)(C)c1ccc(C(=O)CCl)cc1
InChIKey
LTHPBRNHHJIQME-UHFFFAOYSA-N
InChI
InChI=1S/C12H15ClO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,8H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 2-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
  • Acetophenone, 4′-tert-butyl-2-chloro-
  • 2-Chloro-4′-tert-butylacetophenone
  • 4-tert-Butylphenacyl chloride
  • NSC 23491
  • 1-(4-tert-Butylphenyl)-2-chloroethanone
  • 1-(4-tert-Butylphenyl)-2-chloroethan-1-one
  • 2-Chloro-1-(4-tert-butylphenyl)ethanone

Work with 2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone

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

4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone43076-61-566 % similar 1-[4-(1,1-Dimethylethyl)phenyl]-1-propanone71209-71-766 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-959 % similar 2,4′-Dichloroacetophenone937-20-256 % similar Avobenzone70356-09-155 % similar Phenacyl chloride532-27-455 % similar 4-tert-Butylbenzoyl chloride1710-98-155 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-355 % similar

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

Same formula

4-Pentylbenzoyl chloride49763-65-7

Elsewhere

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