4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile

C14H17NO — CID 21433542

IUPAC4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile
SMILESCc1cccc(C2(C#N)CCC(O)CC2)c1
InChIInChI=1S/C14H17NO/c1-11-3-2-4-12(9-11)14(10-15)7-5-13(16)6-8-14/h2-4,9,13,16H,5-8H2,1H3
InChIKeyFHTOKAJWHJMXRW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.69
Rot. Bonds1

About 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile

4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile (PubChem CID 21433542) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile
PubChem CID21433542
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile
SMILESCc1cccc(C2(C#N)CCC(O)CC2)c1
InChIInChI=1S/C14H17NO/c1-11-3-2-4-12(9-11)14(10-15)7-5-13(16)6-8-14/h2-4,9,13,16H,5-8H2,1H3
InChIKeyFHTOKAJWHJMXRW-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile (CID 21433542) is 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile is Cc1cccc(C2(C#N)CCC(O)CC2)c1.
What is the InChIKey of 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile?
The InChIKey is FHTOKAJWHJMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-3-2-4-12(9-11)14(10-15)7-5-13(16)6-8-14/h2-4,9,13,16H,5-8H2,1H3.
What are the key properties of 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile?
4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methylphenyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 21433542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).