4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile

C24H29N — CID 67894424

IUPAC4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
SMILESCCCc1ccc(C2CCC(CCc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C24H29N/c1-2-3-19-10-14-23(15-11-19)24-16-12-21(13-17-24)5-4-20-6-8-22(18-25)9-7-20/h6-11,14-15,21,24H,2-5,12-13,16-17H2,1H3
InChIKeyOAIQSVRXSWZHBT-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.42
Rot. Bonds6

About 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile

4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile (PubChem CID 67894424) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
PubChem CID67894424
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
SMILESCCCc1ccc(C2CCC(CCc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C24H29N/c1-2-3-19-10-14-23(15-11-19)24-16-12-21(13-17-24)5-4-20-6-8-22(18-25)9-7-20/h6-11,14-15,21,24H,2-5,12-13,16-17H2,1H3
InChIKeyOAIQSVRXSWZHBT-UHFFFAOYSA-N
XLogP6.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 19099062
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzonitrile
CID 15131486
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 139659671
4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 54171729
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
4-[4-(2,2-dimethylpropyl)cyclohexyl]benzonitrile
CID 66584989
4-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67707796
4-[4-(3-methylpentyl)cyclohexyl]benzonitrile
CID 22755305
1-butyl-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethynyl]benzene
CID 23391100

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile?
The IUPAC name of 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile (CID 67894424) is 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile?
The canonical SMILES for 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile is CCCc1ccc(C2CCC(CCc3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile?
The InChIKey is OAIQSVRXSWZHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-2-3-19-10-14-23(15-11-19)24-16-12-21(13-17-24)5-4-20-6-8-22(18-25)9-7-20/h6-11,14-15,21,24H,2-5,12-13,16-17H2,1H3.
What are the key properties of 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile?
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile has a molecular weight of 331.50 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile is sourced from PubChem (CID 67894424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).