chempirical

4-(Hexyloxy)benzoyl chloride

C13H17ClO2CAS 39649-71-3240.73 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C13H17ClO2
Molar mass
240.73 g/mol
Exact mass
240.0917 Da
logP
4.02Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
39649-71-3
SMILES
CCCCCCOc1ccc(C(=O)Cl)cc1
InChIKey
DQQOONVCLQZWOY-UHFFFAOYSA-N
InChI
InChI=1S/C13H17ClO2/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzoyl chloride, 4-(hexyloxy)-
  • Benzoyl chloride, p-(hexyloxy)-
  • p-n-Hexyloxybenzoyl chloride
  • p-(Hexyloxy)benzoyl chloride
  • 4-Hexyloxybenzoic acid chloride

Work with 4-(Hexyloxy)benzoyl chloride

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-Butoxybenzoyl chloride33863-86-488 % similar 4-Ethoxybenzoyl chloride16331-46-767 % similar 4-(Hexyloxy)benzoic acid1142-39-865 % similar 4-(Heptyloxy)benzoic acid15872-42-165 % similar 4-(Nonyloxy)benzoic acid15872-43-265 % similar 4-(Undecyloxy)benzoic acid15872-44-365 % similar 4-(Dodecyloxy)benzoic acid2312-15-465 % similar Octyloxybenzoic acid2493-84-765 % similar

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

Elsewhere

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