chempirical

1-Bromo-4-(trans-4-pentylcyclohexyl)benzene

C17H25BrCAS 79832-89-6309.29 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C17H25Br
Molar mass
309.29 g/mol
Exact mass
308.1140 Da
logP
6.30Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
79832-89-6
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(Br)cc2)CC1
InChIKey
QUWHOIKFJBTGHZ-SHTZXODSNA-N
InChI
InChI=1/C17H25Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3/t14-,15-

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Names and synonyms

8 names
  • Benzene, 1-bromo-4-(trans-4-pentylcyclohexyl)-
  • Benzene, 1-bromo-4-(4-pentylcyclohexyl)-, trans-
  • 4-(trans-4-Pentylcyclohexyl)-1-bromobenzene
  • 4-Bromo-1-(trans-4-pentylcyclohexyl)benzene
  • 4-(trans-4-n-Pentylcyclohexyl)phenyl bromide
  • 4-(trans-4-Pentylcyclohexyl)bromobenzene
  • trans-1-Bromo-4-(4-pentylcyclohexyl)benzene
  • 1-Bromo-4-(trans-4-n-pentylcyclohexyl)benzene

Work with 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene

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-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-578 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-771 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-467 % similar 4-(trans-4-Butylcyclohexyl)phenol88581-00-464 % similar 4-(trans-4-Pentylcyclohexyl)benzonitrile61204-01-162 % similar 4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl79709-85-662 % similar 1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene84540-32-962 % similar 1-Bromo-4-cyclopropylbenzene1124-14-760 % similar

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

Elsewhere

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