4-[1-(4-cyanophenyl)propyl]benzonitrile

C17H14N2 — CID 143564661

IUPAC4-[1-(4-cyanophenyl)propyl]benzonitrile
SMILESCCC(c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H14N2/c1-2-17(15-7-3-13(11-18)4-8-15)16-9-5-14(12-19)6-10-16/h3-10,17H,2H2,1H3
InChIKeyJKZJQAANPOATLH-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.97
Rot. Bonds3

About 4-[1-(4-cyanophenyl)propyl]benzonitrile

4-[1-(4-cyanophenyl)propyl]benzonitrile (PubChem CID 143564661) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[1-(4-cyanophenyl)propyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-cyanophenyl)propyl]benzonitrile
PubChem CID143564661
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name4-[1-(4-cyanophenyl)propyl]benzonitrile
SMILESCCC(c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H14N2/c1-2-17(15-7-3-13(11-18)4-8-15)16-9-5-14(12-19)6-10-16/h3-10,17H,2H2,1H3
InChIKeyJKZJQAANPOATLH-UHFFFAOYSA-N
XLogP3.97
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-cyanophenyl)pentanoic acid
CID 46932273
4-[(Z)-hex-4-en-3-yl]benzonitrile
CID 163526754
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
4-(1,2-diphenylethyl)benzonitrile
CID 10039481
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
4-[(2R)-1-aminopropan-2-yl]benzonitrile
CID 139426388
4-(3-oxopentan-2-yl)benzonitrile
CID 137429446
4-dodecan-6-ylbenzonitrile
CID 143747223
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyanophenyl)propyl]benzonitrile?
The IUPAC name of 4-[1-(4-cyanophenyl)propyl]benzonitrile (CID 143564661) is 4-[1-(4-cyanophenyl)propyl]benzonitrile.
What is the SMILES notation for 4-[1-(4-cyanophenyl)propyl]benzonitrile?
The canonical SMILES for 4-[1-(4-cyanophenyl)propyl]benzonitrile is CCC(c1ccc(C#N)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(4-cyanophenyl)propyl]benzonitrile?
The InChIKey is JKZJQAANPOATLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-17(15-7-3-13(11-18)4-8-15)16-9-5-14(12-19)6-10-16/h3-10,17H,2H2,1H3.
What are the key properties of 4-[1-(4-cyanophenyl)propyl]benzonitrile?
4-[1-(4-cyanophenyl)propyl]benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyanophenyl)propyl]benzonitrile is sourced from PubChem (CID 143564661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).