chempirical

1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene

C22H34CAS 84656-75-7298.51 g/mol

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Properties

Molecular formula
C22H34
Molar mass
298.51 g/mol
Exact mass
298.2661 Da
logP
6.88Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4
Stereocentres
r, s, r, rin SMILES atom order

Identifiers

CAS number
84656-75-7
SMILES
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1
InChIKey
SDESCXGEQILYTQ-XHPGVBHPNA-N
InChI
InChI=1/C22H34/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3/t18-,20-,21-,22-

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Names and synonyms

9 names
  • Benzene, 1-methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-
  • Benzene, 1-methyl-4-(4′-propyl[1,1′-bicyclohexyl]-4-yl)-, [trans(trans)]-
  • 3-HHB-1
  • CCP 3-1
  • 3-Cy-cy-ph-1
  • CCP31
  • (Trans,trans)-4-(4-Methylphenyl)-4′-propyl-1,1′-bicyclohexyl
  • 3CCP1
  • (Trans,trans)-4-(4′-Propyl-1,1′-bicyclohexyl-4-yl)-1-methylbenzene

Work with 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]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-[(Trans,trans)-4′-(3-buten-1-yl)[1,1′-bicyclohexyl]-4-yl]-4-methylbenzene129738-42-763 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-660 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-560 % similar 1-[(Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene133937-72-159 % similar 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-557 % similar V-Hhb-1155041-85-355 % similar 4-(trans-4-Propylcyclohexyl)benzonitrile61203-99-455 % similar 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-155 % similar

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

Elsewhere

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