4-[4-(4-propylphenyl)phenyl]benzonitrile

C22H19N — CID 14439274

IUPAC4-[4-(4-propylphenyl)phenyl]benzonitrile
SMILESCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H19N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h4-15H,2-3H2,1H3
InChIKeyPWZKBBQJWUEPOK-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.84
Rot. Bonds4

About 4-[4-(4-propylphenyl)phenyl]benzonitrile

4-[4-(4-propylphenyl)phenyl]benzonitrile (PubChem CID 14439274) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[4-(4-propylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-propylphenyl)phenyl]benzonitrile
PubChem CID14439274
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name4-[4-(4-propylphenyl)phenyl]benzonitrile
SMILESCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C22H19N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h4-15H,2-3H2,1H3
InChIKeyPWZKBBQJWUEPOK-UHFFFAOYSA-N
XLogP5.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylphenyl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(4-propylphenyl)phenyl]benzonitrile (CID 14439274) is 4-[4-(4-propylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(4-propylphenyl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(4-propylphenyl)phenyl]benzonitrile is CCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-propylphenyl)phenyl]benzonitrile?
The InChIKey is PWZKBBQJWUEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h4-15H,2-3H2,1H3.
What are the key properties of 4-[4-(4-propylphenyl)phenyl]benzonitrile?
4-[4-(4-propylphenyl)phenyl]benzonitrile has a molecular weight of 297.40 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 14439274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).