chempirical

2-Chloro-1-(4-methylphenyl)ethanone

C9H9ClOCAS 4209-24-9168.62 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C9H9ClO
Molar mass
168.62 g/mol
Exact mass
168.0342 Da
Density
1.0937 g/mL (at 20 °C)
Melting point
57–58 °C
Boiling point
113 °C (at 4 Torr)
logP
2.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
4209-24-9
SMILES
Cc1ccc(C(=O)CCl)cc1
InChIKey
HGLJRZYKFVJSEE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanone, 2-chloro-1-(4-methylphenyl)-
  • Acetophenone, 2-chloro-4′-methyl-
  • p-Methylphenacyl chloride
  • p-Methyl-2-chloroacetophenone
  • α-Chloro-4′-methylacetophenone
  • 4-Methylphenacyl chloride
  • 2-Chloro-4′-methylacetophenone
  • 4-(2-Chloroacetyl)toluene
  • Chloromethyl 4-methylphenyl ketone
  • 2-Chloro-1-(4′-methylphenyl)ethanone
  • Chloromethyl p-tolyl ketone
  • NSC 41667
  • 2-Chloro-1-(p-tolyl)ethanone
  • 2-Chloro-1-(4-methylphenyl)ethan-1-one

Work with 2-Chloro-1-(4-methylphenyl)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′-Methylpropiophenone5337-93-962 % similar 2,4′-Dichloroacetophenone937-20-262 % similar Phenacyl chloride532-27-461 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-360 % similar 2-Chloro-4′-fluoroacetophenone456-04-260 % similar 4-Methylphenacyl bromide619-41-060 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-060 % similar 2-Chloro-1-[4-(1,1-dimethylethyl)phenyl]ethanone21886-62-459 % similar

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

Same formula

2-Allyl-4-chlorophenol13997-73-4 1-(3-Chlorophenyl)propan-2-one14123-60-5 4-Ethylbenzoyl chloride16331-45-6 3,4-Dimethylbenzoyl chloride21900-23-2 2,4-Dimethylbenzoyl chloride21900-42-5 1-(3-Chlorophenyl)-1-propanone34841-35-5 1-(4-Chloro-3-methylphenyl)ethanone37074-39-8 (4-Chlorophenyl)acetone5586-88-9

Elsewhere

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