2-(4-chlorophenyl)-2-cyclohexylacetonitrile

C14H16ClN — CID 12603992

IUPAC2-(4-chlorophenyl)-2-cyclohexylacetonitrile
SMILESN#CC(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C14H16ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChIKeyOHXNVQXHCUNWGN-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.53
Rot. Bonds2

About 2-(4-chlorophenyl)-2-cyclohexylacetonitrile

2-(4-chlorophenyl)-2-cyclohexylacetonitrile (PubChem CID 12603992) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclohexylacetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclohexylacetonitrile
PubChem CID12603992
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name2-(4-chlorophenyl)-2-cyclohexylacetonitrile
SMILESN#CC(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C14H16ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChIKeyOHXNVQXHCUNWGN-UHFFFAOYSA-N
XLogP4.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-2-cyclohexylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
CID 51669423
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride
CID 86704279
2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
CID 82078345
2-(3-chloro-4-methoxyphenyl)-2-cyclohexylacetonitrile
CID 82091396
2-(4-chlorophenyl)-3-cyclohexyl-3-oxopropanenitrile
CID 13470640
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
CID 55270127
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
2-(4-chlorophenyl)sulfanyl-2-cyclohexylacetonitrile
CID 78965843

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclohexylacetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclohexylacetonitrile (CID 12603992) is 2-(4-chlorophenyl)-2-cyclohexylacetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclohexylacetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclohexylacetonitrile is N#CC(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclohexylacetonitrile?
The InChIKey is OHXNVQXHCUNWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h6-9,11,14H,1-5H2.
What are the key properties of 2-(4-chlorophenyl)-2-cyclohexylacetonitrile?
2-(4-chlorophenyl)-2-cyclohexylacetonitrile has a molecular weight of 233.74 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclohexylacetonitrile is sourced from PubChem (CID 12603992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).