4-(1-cyano-3-phenylpropyl)benzonitrile

C17H14N2 — CID 82137801

IUPAC4-(1-cyano-3-phenylpropyl)benzonitrile
SMILESN#Cc1ccc(C(C#N)CCc2ccccc2)cc1
InChIInChI=1S/C17H14N2/c18-12-15-7-9-16(10-8-15)17(13-19)11-6-14-4-2-1-3-5-14/h1-5,7-10,17H,6,11H2
InChIKeyZPBLDWKHIKOLKO-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.80
Rot. Bonds4

About 4-(1-cyano-3-phenylpropyl)benzonitrile

4-(1-cyano-3-phenylpropyl)benzonitrile (PubChem CID 82137801) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(1-cyano-3-phenylpropyl)benzonitrile.

Molecular Properties

Compound Name4-(1-cyano-3-phenylpropyl)benzonitrile
PubChem CID82137801
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name4-(1-cyano-3-phenylpropyl)benzonitrile
SMILESN#Cc1ccc(C(C#N)CCc2ccccc2)cc1
InChIInChI=1S/C17H14N2/c18-12-15-7-9-16(10-8-15)17(13-19)11-6-14-4-2-1-3-5-14/h1-5,7-10,17H,6,11H2
InChIKeyZPBLDWKHIKOLKO-UHFFFAOYSA-N
XLogP3.80
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 82137373
2-(4-methylphenyl)-5-phenylpentanenitrile
CID 82137049
(2S)-2-(2-chloropyrimidin-5-yl)-4-phenylbutanenitrile
CID 134967256
4-(1,2-diphenylethyl)benzonitrile
CID 10039481
4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile
CID 162534778
4-(8-phenyloctyl)benzonitrile
CID 21257462
2-(3-ethyl-4-methoxyphenyl)-4-phenylbutanenitrile
CID 82137906
2-(2,6-dichlorophenyl)-4-phenylbutanenitrile
CID 82137101
2-(4-cyanophenyl)ethyl-triphenylphosphanium chloride
CID 88504587
4-bromo-2-phenylbutanenitrile
CID 21424265
2-amino-4-phenylbutanenitrile
CID 11159479
4-[4-(5-phenylpentyl)phenyl]benzonitrile
CID 101022686

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyano-3-phenylpropyl)benzonitrile?
The IUPAC name of 4-(1-cyano-3-phenylpropyl)benzonitrile (CID 82137801) is 4-(1-cyano-3-phenylpropyl)benzonitrile.
What is the SMILES notation for 4-(1-cyano-3-phenylpropyl)benzonitrile?
The canonical SMILES for 4-(1-cyano-3-phenylpropyl)benzonitrile is N#Cc1ccc(C(C#N)CCc2ccccc2)cc1.
What is the InChIKey of 4-(1-cyano-3-phenylpropyl)benzonitrile?
The InChIKey is ZPBLDWKHIKOLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c18-12-15-7-9-16(10-8-15)17(13-19)11-6-14-4-2-1-3-5-14/h1-5,7-10,17H,6,11H2.
What are the key properties of 4-(1-cyano-3-phenylpropyl)benzonitrile?
4-(1-cyano-3-phenylpropyl)benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyano-3-phenylpropyl)benzonitrile is sourced from PubChem (CID 82137801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).