chempirical

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

C15H21BrCAS 86579-53-5281.24 g/mol

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Br
Aryl halide

Properties

Molecular formula
C15H21Br
Molar mass
281.24 g/mol
Exact mass
280.0827 Da
logP
5.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
86579-53-5
SMILES
CCC[C@H]1CC[C@H](c2ccc(Br)cc2)CC1
InChIKey
GMZABADCQVWQPS-JOCQHMNTNA-N
InChI
InChI=1/C15H21Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13H,2-7H2,1H3/t12-,13-

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Names and synonyms

7 names
  • Benzene, 1-bromo-4-(trans-4-propylcyclohexyl)-
  • p-(trans-4-Propylcyclohexyl)bromobenzene
  • 4-(trans-4-Propylcyclohexyl)bromobenzene
  • 1-Bromo-4-[trans-(4′-propyl)cyclohexyl]benzene
  • trans-1-Bromo-4-(4-propylcyclohexyl)benzene
  • 1-Bromo-4-(trans-4-n-propylcyclohexyl)benzene
  • Benzene, 1-bromo-4-(4-propylcyclohexyl)-, trans-

Work with 1-Bromo-4-(trans-4-propylcyclohexyl)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-pentylcyclohexyl)benzene79832-89-678 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-669 % similar 1-Bromo-4-cyclopropylbenzene1124-14-767 % similar 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-560 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-760 % similar 4-(trans-4-Propylcyclohexyl)benzonitrile61203-99-458 % similar 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-158 % similar 4-Ethyl-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl84540-37-458 % similar

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

Elsewhere

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