2-[2-(4-cyanophenyl)ethyl]benzonitrile

C16H12N2 — CID 155568003

IUPAC2-[2-(4-cyanophenyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2ccccc2C#N)cc1
InChIInChI=1S/C16H12N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-8H,9-10H2
InChIKeyGICNPLAPSKTLQO-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.22
Rot. Bonds3

About 2-[2-(4-cyanophenyl)ethyl]benzonitrile

2-[2-(4-cyanophenyl)ethyl]benzonitrile (PubChem CID 155568003) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)ethyl]benzonitrile
PubChem CID155568003
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name2-[2-(4-cyanophenyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2ccccc2C#N)cc1
InChIInChI=1S/C16H12N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-8H,9-10H2
InChIKeyGICNPLAPSKTLQO-UHFFFAOYSA-N
XLogP3.22
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)ethyl]benzonitrile?
The IUPAC name of 2-[2-(4-cyanophenyl)ethyl]benzonitrile (CID 155568003) is 2-[2-(4-cyanophenyl)ethyl]benzonitrile.
What is the SMILES notation for 2-[2-(4-cyanophenyl)ethyl]benzonitrile?
The canonical SMILES for 2-[2-(4-cyanophenyl)ethyl]benzonitrile is N#Cc1ccc(CCc2ccccc2C#N)cc1.
What is the InChIKey of 2-[2-(4-cyanophenyl)ethyl]benzonitrile?
The InChIKey is GICNPLAPSKTLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-8H,9-10H2.
What are the key properties of 2-[2-(4-cyanophenyl)ethyl]benzonitrile?
2-[2-(4-cyanophenyl)ethyl]benzonitrile has a molecular weight of 232.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)ethyl]benzonitrile is sourced from PubChem (CID 155568003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).