2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile

C16H14ClN — CID 82088863

IUPAC2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN/c1-16(2,11-18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-10H,1-2H3
InChIKeyJARLTWHJPHFWNW-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.81
Rot. Bonds2

About 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile

2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile (PubChem CID 82088863) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile
PubChem CID82088863
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN/c1-16(2,11-18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-10H,1-2H3
InChIKeyJARLTWHJPHFWNW-UHFFFAOYSA-N
XLogP4.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile 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-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile (CID 82088863) is 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile is CC(C)(C#N)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile?
The InChIKey is JARLTWHJPHFWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c1-16(2,11-18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-10H,1-2H3.
What are the key properties of 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile?
2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile has a molecular weight of 255.75 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 82088863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).