chempirical

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

C16H24OCAS 81936-32-5232.37 g/mol

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O
Ether

Properties

Molecular formula
C16H24O
Molar mass
232.37 g/mol
Exact mass
232.1827 Da
logP
4.77Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4
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
81936-32-5
SMILES
CCC[C@H]1CC[C@H](c2ccc(OC)cc2)CC1
InChIKey
MDUQZBFHDPNORI-HDJSIYSDNA-N
InChI
InChI=1/C16H24O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h9-14H,3-8H2,1-2H3/t13-,14-

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Names and synonyms

9 names
  • Benzene, 1-methoxy-4-(trans-4-propylcyclohexyl)-
  • Benzene, 1-methoxy-4-(4-propylcyclohexyl)-, trans-
  • trans-1-(p-Methoxyphenyl)-4-propylcyclohexane
  • PCH 3O1
  • 3-HB-O1
  • CP 3O1
  • (Trans)-4-Methoxy-1-(4-propylcyclohexyl)benzene
  • 3CPO1
  • 3-CyPh-O1

Work with 1-Methoxy-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-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-169 % 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-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-757 % similar [4-(trans-4-N-Propylcyclohexyl)phenyl]boronic acid146862-02-455 % similar 4-(trans-4-Propylcyclohexyl)benzonitrile61203-99-455 % similar 1-Fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene82832-27-755 % similar

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

Same formula

P-Octylacetophenone10541-56-7 Decanophenone6048-82-4 (-)-8-Phenylmenthol65253-04-5 Allyl-α-ionone79-78-7 4-(trans-4-Butylcyclohexyl)phenol88581-00-4

Elsewhere

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