chempirical

1-Chloro-8-phenyloctane

C14H21ClCAS 61440-32-2224.77 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C14H21Cl
Molar mass
224.77 g/mol
Exact mass
224.1332 Da
logP
4.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

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
61440-32-2
SMILES
C1=CC=C(C=C1)CCCCCCCCCl
InChIKey
GVDYDOFBAKCSGC-UHFFFAOYSA-N
InChI
InChI=1S/C14H21Cl/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2

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Work with 1-Chloro-8-phenyloctane

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-Chloro-4-phenylbutane4830-93-795 % similar 1-Chloro-3-phenylpropane104-52-980 % similar Phenylethyl chloride622-24-267 % similar 1,3-Diphenylpropane1081-75-055 % similar 4-(4-Pyridinyl)butyl chloride hydrochloride149463-65-054 % similar Decylbenzene104-72-352 % similar 8-Phenyl-1-octanol10472-97-652 % similar 5-Phenyl-1-pentanol10521-91-252 % similar

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

Elsewhere

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