3-hydroxy-2,4,6-trimethylbenzonitrile

C10H11NO — CID 10920827

IUPAC3-hydroxy-2,4,6-trimethylbenzonitrile
SMILESCc1cc(C)c(C#N)c(C)c1O
InChIInChI=1S/C10H11NO/c1-6-4-7(2)10(12)8(3)9(6)5-11/h4,12H,1-3H3
InChIKeyCHUDLOFNRNLTSH-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.19
Rot. Bonds

About 3-hydroxy-2,4,6-trimethylbenzonitrile

3-hydroxy-2,4,6-trimethylbenzonitrile (PubChem CID 10920827) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-hydroxy-2,4,6-trimethylbenzonitrile.

Molecular Properties

Compound Name3-hydroxy-2,4,6-trimethylbenzonitrile
PubChem CID10920827
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-hydroxy-2,4,6-trimethylbenzonitrile
SMILESCc1cc(C)c(C#N)c(C)c1O
InChIInChI=1S/C10H11NO/c1-6-4-7(2)10(12)8(3)9(6)5-11/h4,12H,1-3H3
InChIKeyCHUDLOFNRNLTSH-UHFFFAOYSA-N
XLogP2.19
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-2,4,6-trimethylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4,6-trimethylbenzonitrile?
The IUPAC name of 3-hydroxy-2,4,6-trimethylbenzonitrile (CID 10920827) is 3-hydroxy-2,4,6-trimethylbenzonitrile.
What is the SMILES notation for 3-hydroxy-2,4,6-trimethylbenzonitrile?
The canonical SMILES for 3-hydroxy-2,4,6-trimethylbenzonitrile is Cc1cc(C)c(C#N)c(C)c1O.
What is the InChIKey of 3-hydroxy-2,4,6-trimethylbenzonitrile?
The InChIKey is CHUDLOFNRNLTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-6-4-7(2)10(12)8(3)9(6)5-11/h4,12H,1-3H3.
What are the key properties of 3-hydroxy-2,4,6-trimethylbenzonitrile?
3-hydroxy-2,4,6-trimethylbenzonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4,6-trimethylbenzonitrile is sourced from PubChem (CID 10920827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).