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

C16H12N2 — CID 2724993

IUPAC4-[2-(4-cyanophenyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H12N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,1-2H2
InChIKeyJOAJACMXZILVRY-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.22
Rot. Bonds3

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

4-[2-(4-cyanophenyl)ethyl]benzonitrile (PubChem CID 2724993) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[2-(4-cyanophenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-cyanophenyl)ethyl]benzonitrile
PubChem CID2724993
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name4-[2-(4-cyanophenyl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H12N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,1-2H2
InChIKeyJOAJACMXZILVRY-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 4-[2-(4-cyanophenyl)ethyl]benzonitrile?
The IUPAC name of 4-[2-(4-cyanophenyl)ethyl]benzonitrile (CID 2724993) is 4-[2-(4-cyanophenyl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-cyanophenyl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(4-cyanophenyl)ethyl]benzonitrile is N#Cc1ccc(CCc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[2-(4-cyanophenyl)ethyl]benzonitrile?
The InChIKey is JOAJACMXZILVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,1-2H2.
What are the key properties of 4-[2-(4-cyanophenyl)ethyl]benzonitrile?
4-[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 4-[2-(4-cyanophenyl)ethyl]benzonitrile is sourced from PubChem (CID 2724993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).