1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile

C23H35NO — CID 14047598

IUPAC1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile
SMILESCCCCCCCCCCC1(C#N)CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H35NO/c1-2-3-4-5-6-7-8-9-16-23(19-24)17-14-21(15-18-23)20-10-12-22(25)13-11-20/h10-13,21,25H,2-9,14-18H2,1H3
InChIKeyGZHLPDNYRGFDJI-UHFFFAOYSA-N
MW341.54 g/mol
LogP7.09
Rot. Bonds10

About 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile

1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile (PubChem CID 14047598) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile
PubChem CID14047598
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile
SMILESCCCCCCCCCCC1(C#N)CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C23H35NO/c1-2-3-4-5-6-7-8-9-16-23(19-24)17-14-21(15-18-23)20-10-12-22(25)13-11-20/h10-13,21,25H,2-9,14-18H2,1H3
InChIKeyGZHLPDNYRGFDJI-UHFFFAOYSA-N
XLogP7.09
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 ≤ 57.09
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

1-octyl-4-(4-octylphenyl)cyclohexane-1-carbonitrile
CID 18636156
1-heptyl-4-[4-(4-propylcyclohexyl)phenyl]cyclohexane-1-carbonitrile
CID 18643204
4-(4-bromophenyl)-1-butylcyclohexane-1-carbonitrile
CID 18650665
1-butyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexane-1-carbonitrile
CID 18643180
1-decyl-4-[4-(5-hexylpyrimidin-2-yl)phenyl]cyclohexane-1-carbonitrile
CID 18644636
4-methyl-1-nonylcyclohexane-1-carbonitrile
CID 65378716
1-[2-(4-octylcyclohexyl)ethyl]-4-(4-octylphenyl)cyclohexane-1-carbonitrile
CID 18636119
4-[4-(4-butoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-heptoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-hexoxyphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;4-[4-(4-nonylphenyl)phenyl]-1-octylcyclohexane-1-carbonitrile;1-octyl-4-[4-(4-pentoxyphenyl)phenyl]cyclohexane-1-carbonitrile
CID 173408417
1-hexyl-4-[4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl]cyclohexane-1-carbonitrile
CID 18644684
4-[4-(3,7-dimethyloctoxy)phenyl]-1-octylcyclohexane-1-carbonitrile
CID 139882493
[4-[4-(4-cyano-4-decylcyclohexyl)phenyl]phenyl] 2-chloro-3-methylbutanoate
CID 139882455
4-[4-[4-[(2R,3R)-2,3-difluorooctoxy]phenyl]phenyl]-1-heptylcyclohexane-1-carbonitrile
CID 142023839

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile (CID 14047598) is 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile is CCCCCCCCCCC1(C#N)CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile?
The InChIKey is GZHLPDNYRGFDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-2-3-4-5-6-7-8-9-16-23(19-24)17-14-21(15-18-23)20-10-12-22(25)13-11-20/h10-13,21,25H,2-9,14-18H2,1H3.
What are the key properties of 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile?
1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile has a molecular weight of 341.54 g/mol, XLogP of 7.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-(4-hydroxyphenyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 14047598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).