2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile

C16H15NO — CID 175892022

IUPAC2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile
SMILESCc1cc(C)c(-c2cc(C)ccc2C#N)c(O)c1
InChIInChI=1S/C16H15NO/c1-10-4-5-13(9-17)14(7-10)16-12(3)6-11(2)8-15(16)18/h4-8,18H,1-3H3
InChIKeySXOIVBQEPKKDPH-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.86
Rot. Bonds1

About 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile

2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile (PubChem CID 175892022) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile
PubChem CID175892022
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile
SMILESCc1cc(C)c(-c2cc(C)ccc2C#N)c(O)c1
InChIInChI=1S/C16H15NO/c1-10-4-5-13(9-17)14(7-10)16-12(3)6-11(2)8-15(16)18/h4-8,18H,1-3H3
InChIKeySXOIVBQEPKKDPH-UHFFFAOYSA-N
XLogP3.86
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile?
The IUPAC name of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile (CID 175892022) is 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile?
The canonical SMILES for 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile is Cc1cc(C)c(-c2cc(C)ccc2C#N)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile?
The InChIKey is SXOIVBQEPKKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-10-4-5-13(9-17)14(7-10)16-12(3)6-11(2)8-15(16)18/h4-8,18H,1-3H3.
What are the key properties of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile?
2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile has a molecular weight of 237.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4,6-dimethylphenyl)-4-methylbenzonitrile is sourced from PubChem (CID 175892022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).