1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile

C14H16ClN — CID 65377832

IUPAC1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
SMILESN#CC1(Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H16ClN/c15-13-6-4-12(5-7-13)10-14(11-16)8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyVCOXWMKFVIFHNK-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.36
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile

1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile (PubChem CID 65377832) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
PubChem CID65377832
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
SMILESN#CC1(Cc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H16ClN/c15-13-6-4-12(5-7-13)10-14(11-16)8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChIKeyVCOXWMKFVIFHNK-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chlorobenzyl cyanide
CID 241582
4-Chlorobenzalmalononitrile
CID 15847
4-Chlorobenzonitrile
CID 12163
Benzeneacetonitrile, alpha-butyl-4-chloro-
CID 11041961
2,4-Dichlorophenylacetonitrile
CID 80566
3-(4-Chlorophenyl)-2-propenenitrile
CID 5371673
3-(p-Chlorophenyl)-2-phenylacrylonitrile
CID 682089
1-(4-Chlorophenyl)cyclobutanecarbonitrile
CID 98621
Cyclohexyl-(3,4-dichloro-phenyl)-acetonitrile
CID 10084369
Acrylonitrile, 2-(p-chlorophenyl)-3-phenyl-
CID 736230
m-Chlorophenylacetonitrile
CID 73722
1-(4-Chlorophenyl)cyclopentanecarbonitrile
CID 97384

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile (CID 65377832) is 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile is N#CC1(Cc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile?
The InChIKey is VCOXWMKFVIFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c15-13-6-4-12(5-7-13)10-14(11-16)8-2-1-3-9-14/h4-7H,1-3,8-10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile?
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile has a molecular weight of 233.74 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 65377832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).