chempirical

4-(trans-4-Pentylcyclohexyl)phenol

C17H26OCAS 82575-69-7246.39 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C17H26O
Molar mass
246.39 g/mol
Exact mass
246.1984 Da
Melting point
133–135 °C
logP
5.25Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
82575-69-7
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(O)cc2)CC1
InChIKey
QRAZRBGYBYIGRL-SHTZXODSNA-N
InChI
InChI=1/C17H26O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15,18H,2-9H2,1H3/t14-,15-

Weigh it out

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

Names and synonyms

9 names
  • Phenol, 4-(trans-4-pentylcyclohexyl)-
  • Phenol, 4-(4-pentylcyclohexyl)-, trans-
  • p-(trans-4-Pentylcyclohexyl)phenol
  • trans-(4-Pentylcyclohexyl)phenol
  • p-(trans-4-n-Pentylcyclohexyl)phenol
  • PCH 500
  • 4-(trans-4-n-Pentylcyclohexyl)phenol
  • trans-4-(4-Pentylcyclohexyl)phenol
  • p-(trans-4-n-Propylcyclohexyl)phenol

Work with 4-(trans-4-Pentylcyclohexyl)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)phenol88581-00-490 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-678 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-671 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-467 % 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 4-(trans-4-Pentylcyclohexyl)benzoic acid65355-30-861 % similar

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

Same formula

1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-2 Acetylcedrene32388-55-9 1-(4-Nonylphenyl)ethanone37593-05-8 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook