1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene

C27H38 — CID 20539374

IUPAC1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(CCC)cc3)cc2)CC1
InChIInChI=1S/C27H38/c1-3-5-6-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(8-4-2)11-15-24/h10-11,14-15,18-21,23,25H,3-9,12-13,16-17H2,1-2H3
InChIKeyXOBDPSAUCQQQKS-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.55
Rot. Bonds9

About 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene

1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene (PubChem CID 20539374) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
PubChem CID20539374
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
SMILESCCCCCCC1CCC(c2ccc(-c3ccc(CCC)cc3)cc2)CC1
InChIInChI=1S/C27H38/c1-3-5-6-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(8-4-2)11-15-24/h10-11,14-15,18-21,23,25H,3-9,12-13,16-17H2,1-2H3
InChIKeyXOBDPSAUCQQQKS-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene?
The IUPAC name of 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene (CID 20539374) is 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene is CCCCCCC1CCC(c2ccc(-c3ccc(CCC)cc3)cc2)CC1.
What is the InChIKey of 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene?
The InChIKey is XOBDPSAUCQQQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-3-5-6-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(8-4-2)11-15-24/h10-11,14-15,18-21,23,25H,3-9,12-13,16-17H2,1-2H3.
What are the key properties of 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene?
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene has a molecular weight of 362.60 g/mol, XLogP of 8.55, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene is sourced from PubChem (CID 20539374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).