1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene

C29H40 — CID 20538184

IUPAC1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C29H40/c1-3-4-5-23-8-12-25(13-9-23)27-16-20-29(21-17-27)28-18-14-26(15-19-28)24-10-6-22(2)7-11-24/h14-25H,3-13H2,1-2H3
InChIKeyVTLLHJOKZIVBAQ-UHFFFAOYSA-N
MW388.64 g/mol
LogP9.11
Rot. Bonds6

About 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene

1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene (PubChem CID 20538184) has the molecular formula C29H40 and a molecular weight of 388.64 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
PubChem CID20538184
Molecular FormulaC29H40
Molecular Weight388.64 g/mol
Exact Mass388.31
IUPAC Name1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
SMILESCCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C29H40/c1-3-4-5-23-8-12-25(13-9-23)27-16-20-29(21-17-27)28-18-14-26(15-19-28)24-10-6-22(2)7-11-24/h14-25H,3-13H2,1-2H3
InChIKeyVTLLHJOKZIVBAQ-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-butylcyclohexen-1-yl)-4-(4-methylcyclohexyl)benzene
CID 20538143

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene (CID 20538184) is 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene is CCCCC1CCC(c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
The InChIKey is VTLLHJOKZIVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40/c1-3-4-5-23-8-12-25(13-9-23)27-16-20-29(21-17-27)28-18-14-26(15-19-28)24-10-6-22(2)7-11-24/h14-25H,3-13H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene?
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene has a molecular weight of 388.64 g/mol, XLogP of 9.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 20538184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).