chempirical

1-(2,4-Dichlorophenyl)-1-pentanone

C11H12Cl2OCAS 61023-66-3231.12 g/mol

Open in Covalent MOL file
OClCl
Aryl halideKetone

Properties

Molecular formula
C11H12Cl2O
Molar mass
231.12 g/mol
Exact mass
230.0265 Da
logP
4.37Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
61023-66-3
SMILES
CCCCC(=O)c1ccc(Cl)cc1Cl
InChIKey
XVWXSWROOLWNCJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H12Cl2O/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h5-7H,2-4H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Pentanone, 1-(2,4-dichlorophenyl)-
  • 2,4-Dichlorovalerophenone
  • Butyl 2,4-dichlorophenyl ketone
  • 2′,4′-Dichlorovalerophenone
  • 1-(2,4-Dichlorophenyl)pentan-1-one

Work with 1-(2,4-Dichlorophenyl)-1-pentanone

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

1-(2,4-Dichlorophenyl)-1-butanone66353-47-783 % similar 1-(2,4-Dichlorophenyl)-1-propanone37885-41-968 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-761 % similar 2,2′,4′-Trichloroacetophenone4252-78-261 % similar 2,4-Dichlorophenacyl bromide2631-72-359 % similar 6-Chloro-1-tetralone26673-31-459 % similar 5-Chloro-1-indanone42348-86-754 % similar 2′,4′-Dichloroacetophenone2234-16-451 % similar

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

Elsewhere

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