chempirical

4-(trans-4-Propylcyclohexyl)phenol

C15H22OCAS 81936-33-6218.34 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C15H22O
Molar mass
218.34 g/mol
Exact mass
218.1671 Da
logP
4.47Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3
Stereocentres
r, sin SMILES atom order

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
81936-33-6
SMILES
CCC[C@H]1CC[C@H](c2ccc(O)cc2)CC1
InChIKey
AHAZEMSUUYFDMM-JOCQHMNTNA-N
InChI
InChI=1/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3/t12-,13-

Weigh it out

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

Names and synonyms

5 names
  • Phenol, 4-(trans-4-propylcyclohexyl)-
  • Phenol, 4-(4-propylcyclohexyl)-, trans-
  • 4-(4′-trans-4′′-Propylcyclohexyl)-1-hydroxybenzene
  • trans-4-(4-n-Propylcyclohexyl)phenol
  • 4-(4-trans-Propylcyclohexyl)phenol

Work with 4-(trans-4-Propylcyclohexyl)phenol

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-(trans-4-Butylcyclohexyl)phenol88581-00-481 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-778 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-569 % similar [4-(trans-4-N-Propylcyclohexyl)phenyl]boronic acid146862-02-463 % 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

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

Same formula

3,5-Bis(tert-butyl)benzaldehyde17610-00-3 1-(4-Heptylphenyl)ethanone37593-03-6 Nootkatone4674-50-4 (+)-Alpha-Cyperone473-08-5 1-Phenylnonan-1-one6008-36-2 Germacrone6902-91-6

Elsewhere

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