chempirical

4-Octyloxybenzoyl chloride

C15H21ClO2CAS 40782-53-4268.78 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C15H21ClO2
Molar mass
268.78 g/mol
Exact mass
268.1230 Da
logP
4.80Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40782-53-4
SMILES
CCCCCCCCOC1=CC=C(C=C1)C(=O)Cl
InChIKey
YXBOJGHBKKAPOG-UHFFFAOYSA-N
InChI
InChI=1S/C15H21ClO2/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3

Weigh it out

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

Work with 4-Octyloxybenzoyl 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-(Hexyloxy)benzoyl chloride39649-71-3100 % similar 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-Undecyloxybenzoic acid15872-44-365 % similar 4-(Dodecyloxy)benzoic acid2312-15-465 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook