2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile

C22H33NO — CID 141494504

IUPAC2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile
SMILESCCCCCCCCCC1CCC(c2ccc(O)c(C#N)c2)CC1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-15-22(24)21(16-20)17-23/h14-16,18-19,24H,2-13H2,1H3
InChIKeySGWYUEOAALWJJM-UHFFFAOYSA-N
MW327.51 g/mol
LogP6.68
Rot. Bonds9

About 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile

2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile (PubChem CID 141494504) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile
PubChem CID141494504
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC Name2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile
SMILESCCCCCCCCCC1CCC(c2ccc(O)c(C#N)c2)CC1
InChIInChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-15-22(24)21(16-20)17-23/h14-16,18-19,24H,2-13H2,1H3
InChIKeySGWYUEOAALWJJM-UHFFFAOYSA-N
XLogP6.68
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-decylcyclohexyl)-2-hydroxybenzonitrile
CID 141494598
5-(4-hexylcyclohexyl)-2-methoxybenzonitrile
CID 141494604
[2-cyano-4-(4-nonylcyclohexyl)phenyl] trifluoromethanesulfonate
CID 174961393
5-(4-pentylcyclohexyl)-2-[2-(4-pentylphenyl)ethyl]benzonitrile
CID 18646809
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 19099062
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
(2-cyano-4-methylphenyl) 4-(4-decylcyclohexyl)benzoate
CID 54211713
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
6-(4-pentylcyclohexyl)naphthalen-2-ol
CID 139850093
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile?
The IUPAC name of 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile (CID 141494504) is 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile?
The canonical SMILES for 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile is CCCCCCCCCC1CCC(c2ccc(O)c(C#N)c2)CC1.
What is the InChIKey of 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile?
The InChIKey is SGWYUEOAALWJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)20-14-15-22(24)21(16-20)17-23/h14-16,18-19,24H,2-13H2,1H3.
What are the key properties of 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile?
2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile has a molecular weight of 327.51 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile is sourced from PubChem (CID 141494504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).