1-(1-cyclohexylcyclohexyl)-4-methylbenzene

C19H28 — CID 19365404

IUPAC1-(1-cyclohexylcyclohexyl)-4-methylbenzene
SMILESCc1ccc(C2(C3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C19H28/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17/h10-13,17H,2-9,14-15H2,1H3
InChIKeyHIBQLHFKCNEDDQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.78
Rot. Bonds2

About 1-(1-cyclohexylcyclohexyl)-4-methylbenzene

1-(1-cyclohexylcyclohexyl)-4-methylbenzene (PubChem CID 19365404) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(1-cyclohexylcyclohexyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-cyclohexylcyclohexyl)-4-methylbenzene
PubChem CID19365404
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1-(1-cyclohexylcyclohexyl)-4-methylbenzene
SMILESCc1ccc(C2(C3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C19H28/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17/h10-13,17H,2-9,14-15H2,1H3
InChIKeyHIBQLHFKCNEDDQ-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid
CID 19365403
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
1-[1-[4-[(E)-but-1-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 141324324
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724
1-phenylbicyclo[4.1.0]heptane
CID 582374
1-(1-cyclohexyl-4-propylcyclohexyl)-4-fluorobenzene
CID 22392468
(4aS,8aS)-2-methyl-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824819
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
1-(4-methylphenyl)-3-azabicyclo[3.2.0]heptane
CID 84770532
1-(4-methylphenyl)bicyclo[2.2.2]octane
CID 58390113
4-(2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl)benzene-1,2-diol
CID 68581949
4-(1-phenylcyclopentyl)piperidine
CID 83911457

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene?
The IUPAC name of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene (CID 19365404) is 1-(1-cyclohexylcyclohexyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-cyclohexylcyclohexyl)-4-methylbenzene?
The canonical SMILES for 1-(1-cyclohexylcyclohexyl)-4-methylbenzene is Cc1ccc(C2(C3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene?
The InChIKey is HIBQLHFKCNEDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17/h10-13,17H,2-9,14-15H2,1H3.
What are the key properties of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene?
1-(1-cyclohexylcyclohexyl)-4-methylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylcyclohexyl)-4-methylbenzene is sourced from PubChem (CID 19365404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).