2-cyclohexyl-6-phenyl-3-propylbenzonitrile

C22H25N — CID 141484264

IUPAC2-cyclohexyl-6-phenyl-3-propylbenzonitrile
SMILESCCCc1ccc(-c2ccccc2)c(C#N)c1C1CCCCC1
InChIInChI=1S/C22H25N/c1-2-9-18-14-15-20(17-10-5-3-6-11-17)21(16-23)22(18)19-12-7-4-8-13-19/h3,5-6,10-11,14-15,19H,2,4,7-9,12-13H2,1H3
InChIKeyLQUOCLDXTNUWJQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.23
Rot. Bonds4

About 2-cyclohexyl-6-phenyl-3-propylbenzonitrile

2-cyclohexyl-6-phenyl-3-propylbenzonitrile (PubChem CID 141484264) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-cyclohexyl-6-phenyl-3-propylbenzonitrile.

Molecular Properties

Compound Name2-cyclohexyl-6-phenyl-3-propylbenzonitrile
PubChem CID141484264
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name2-cyclohexyl-6-phenyl-3-propylbenzonitrile
SMILESCCCc1ccc(-c2ccccc2)c(C#N)c1C1CCCCC1
InChIInChI=1S/C22H25N/c1-2-9-18-14-15-20(17-10-5-3-6-11-17)21(16-23)22(18)19-12-7-4-8-13-19/h3,5-6,10-11,14-15,19H,2,4,7-9,12-13H2,1H3
InChIKeyLQUOCLDXTNUWJQ-UHFFFAOYSA-N
XLogP6.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclohexyl-6-phenyl-3-propylbenzonitrile 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 2-cyclohexyl-6-phenyl-3-propylbenzonitrile?
The IUPAC name of 2-cyclohexyl-6-phenyl-3-propylbenzonitrile (CID 141484264) is 2-cyclohexyl-6-phenyl-3-propylbenzonitrile.
What is the SMILES notation for 2-cyclohexyl-6-phenyl-3-propylbenzonitrile?
The canonical SMILES for 2-cyclohexyl-6-phenyl-3-propylbenzonitrile is CCCc1ccc(-c2ccccc2)c(C#N)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-phenyl-3-propylbenzonitrile?
The InChIKey is LQUOCLDXTNUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-2-9-18-14-15-20(17-10-5-3-6-11-17)21(16-23)22(18)19-12-7-4-8-13-19/h3,5-6,10-11,14-15,19H,2,4,7-9,12-13H2,1H3.
What are the key properties of 2-cyclohexyl-6-phenyl-3-propylbenzonitrile?
2-cyclohexyl-6-phenyl-3-propylbenzonitrile has a molecular weight of 303.45 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-phenyl-3-propylbenzonitrile is sourced from PubChem (CID 141484264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).