1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene

C30H42 — CID 634081

IUPAC1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3
InChIKeyLUCHFKBTWHPREI-UHFFFAOYSA-N
MW402.67 g/mol
LogP9.50
Rot. Bonds7

About 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene

1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 634081) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID634081
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H42/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3
InChIKeyLUCHFKBTWHPREI-UHFFFAOYSA-N
XLogP9.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 634081) is 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is LUCHFKBTWHPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3.
What are the key properties of 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 402.67 g/mol, XLogP of 9.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 634081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).