2-hydroxy-4-(4-methylcyclohexyl)benzonitrile

C14H17NO — CID 59903003

IUPAC2-hydroxy-4-(4-methylcyclohexyl)benzonitrile
SMILESCC1CCC(c2ccc(C#N)c(O)c2)CC1
InChIInChI=1S/C14H17NO/c1-10-2-4-11(5-3-10)12-6-7-13(9-15)14(16)8-12/h6-8,10-11,16H,2-5H2,1H3
InChIKeyIPTPKQRCKISQGX-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.56
Rot. Bonds1

About 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile

2-hydroxy-4-(4-methylcyclohexyl)benzonitrile (PubChem CID 59903003) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-(4-methylcyclohexyl)benzonitrile
PubChem CID59903003
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-hydroxy-4-(4-methylcyclohexyl)benzonitrile
SMILESCC1CCC(c2ccc(C#N)c(O)c2)CC1
InChIInChI=1S/C14H17NO/c1-10-2-4-11(5-3-10)12-6-7-13(9-15)14(16)8-12/h6-8,10-11,16H,2-5H2,1H3
InChIKeyIPTPKQRCKISQGX-UHFFFAOYSA-N
XLogP3.56
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-cyano-4-(4-methylcyclohexyl)phenyl] trifluoromethanesulfonate
CID 174961456
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
(4-cyano-3-methylphenyl) 4-(4-methylcyclohexyl)benzoate
CID 145215491
5-(4-decylcyclohexyl)-2-hydroxybenzonitrile
CID 141494598
2-hydroxy-5-(4-nonylcyclohexyl)benzonitrile
CID 141494504
2-fluoro-4-[4-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclohexyl]benzonitrile
CID 139629319
4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzonitrile
CID 59875355
1-[2-hydroxy-4-(4-methylcyclohexyl)phenyl]propan-1-one
CID 70870218
(4-cyano-3-fluorophenyl) 4-(4-methylcyclohexyl)benzoate
CID 21344294
2,6-dimethyl-4-(4-methylcyclohexyl)benzonitrile
CID 22942556
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
2-fluoro-4-(4-fluorocyclohexyl)benzonitrile
CID 18344277

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile?
The IUPAC name of 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile (CID 59903003) is 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile?
The canonical SMILES for 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile is CC1CCC(c2ccc(C#N)c(O)c2)CC1.
What is the InChIKey of 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile?
The InChIKey is IPTPKQRCKISQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-2-4-11(5-3-10)12-6-7-13(9-15)14(16)8-12/h6-8,10-11,16H,2-5H2,1H3.
What are the key properties of 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile?
2-hydroxy-4-(4-methylcyclohexyl)benzonitrile has a molecular weight of 215.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-methylcyclohexyl)benzonitrile is sourced from PubChem (CID 59903003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).