5-(4-decylcyclohexyl)-2-hydroxybenzonitrile

C23H35NO — CID 141494598

IUPAC5-(4-decylcyclohexyl)-2-hydroxybenzonitrile
SMILESCCCCCCCCCCC1CCC(c2ccc(O)c(C#N)c2)CC1
InChIInChI=1S/C23H35NO/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)21-15-16-23(25)22(17-21)18-24/h15-17,19-20,25H,2-14H2,1H3
InChIKeyOBGSFDSLNREZAL-UHFFFAOYSA-N
MW341.54 g/mol
LogP7.07
Rot. Bonds10

About 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile

5-(4-decylcyclohexyl)-2-hydroxybenzonitrile (PubChem CID 141494598) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(4-decylcyclohexyl)-2-hydroxybenzonitrile
PubChem CID141494598
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name5-(4-decylcyclohexyl)-2-hydroxybenzonitrile
SMILESCCCCCCCCCCC1CCC(c2ccc(O)c(C#N)c2)CC1
InChIInChI=1S/C23H35NO/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)21-15-16-23(25)22(17-21)18-24/h15-17,19-20,25H,2-14H2,1H3
InChIKeyOBGSFDSLNREZAL-UHFFFAOYSA-N
XLogP7.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 57.07
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

2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile
CID 141494504
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-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109

Frequently Asked Questions

What is the IUPAC name of 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile (CID 141494598) is 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile is CCCCCCCCCCC1CCC(c2ccc(O)c(C#N)c2)CC1.
What is the InChIKey of 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile?
The InChIKey is OBGSFDSLNREZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-2-3-4-5-6-7-8-9-10-19-11-13-20(14-12-19)21-15-16-23(25)22(17-21)18-24/h15-17,19-20,25H,2-14H2,1H3.
What are the key properties of 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile?
5-(4-decylcyclohexyl)-2-hydroxybenzonitrile has a molecular weight of 341.54 g/mol, XLogP of 7.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-decylcyclohexyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 141494598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).