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

C27H36 — CID 54467761

IUPAC1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C27H36/c1-2-6-21-9-11-23(12-10-21)25-17-19-27(20-18-25)26-15-13-24(14-16-26)22-7-4-3-5-8-22/h3-5,7-8,13-16,21,23,25,27H,2,6,9-12,17-20H2,1H3
InChIKeyXGDSESUSVFSSIT-UHFFFAOYSA-N
MW360.59 g/mol
LogP8.23
Rot. Bonds5

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

1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 54467761) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID54467761
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC1
InChIInChI=1S/C27H36/c1-2-6-21-9-11-23(12-10-21)25-17-19-27(20-18-25)26-15-13-24(14-16-26)22-7-4-3-5-8-22/h3-5,7-8,13-16,21,23,25,27H,2,6,9-12,17-20H2,1H3
InChIKeyXGDSESUSVFSSIT-UHFFFAOYSA-N
XLogP8.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
(4-propylcyclohexyl)benzene
CID 155887669
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 54467761) is 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(-c4ccccc4)cc3)CC2)CC1.
What is the InChIKey of 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is XGDSESUSVFSSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-2-6-21-9-11-23(12-10-21)25-17-19-27(20-18-25)26-15-13-24(14-16-26)22-7-4-3-5-8-22/h3-5,7-8,13-16,21,23,25,27H,2,6,9-12,17-20H2,1H3.
What are the key properties of 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 360.59 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 54467761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).