(1-phenyl-4-propylcyclohexyl)benzene

C21H26 — CID 22919269

IUPAC(1-phenyl-4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H26/c1-2-9-18-14-16-21(17-15-18,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18H,2,9,14-17H2,1H3
InChIKeyYXNQGWHETRHZNC-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.96
Rot. Bonds4

About (1-phenyl-4-propylcyclohexyl)benzene

(1-phenyl-4-propylcyclohexyl)benzene (PubChem CID 22919269) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1-phenyl-4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name(1-phenyl-4-propylcyclohexyl)benzene
PubChem CID22919269
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name(1-phenyl-4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H26/c1-2-9-18-14-16-21(17-15-18,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18H,2,9,14-17H2,1H3
InChIKeyYXNQGWHETRHZNC-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1-phenyl-4-propylcyclohexyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-4-propylcyclohexyl)benzene?
The IUPAC name of (1-phenyl-4-propylcyclohexyl)benzene (CID 22919269) is (1-phenyl-4-propylcyclohexyl)benzene.
What is the SMILES notation for (1-phenyl-4-propylcyclohexyl)benzene?
The canonical SMILES for (1-phenyl-4-propylcyclohexyl)benzene is CCCC1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of (1-phenyl-4-propylcyclohexyl)benzene?
The InChIKey is YXNQGWHETRHZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-2-9-18-14-16-21(17-15-18,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18H,2,9,14-17H2,1H3.
What are the key properties of (1-phenyl-4-propylcyclohexyl)benzene?
(1-phenyl-4-propylcyclohexyl)benzene has a molecular weight of 278.44 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-4-propylcyclohexyl)benzene is sourced from PubChem (CID 22919269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).