2-(methoxyiminomethyl)-3,5,6-trimethylphenol

C11H15NO2 — CID 136611269

IUPAC2-(methoxyiminomethyl)-3,5,6-trimethylphenol
SMILESCON=Cc1c(C)cc(C)c(C)c1O
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)10(6-12-14-4)11(13)9(7)3/h5-6,13H,1-4H3
InChIKeyJXCLBPKLUPXPRY-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.30
Rot. Bonds2

About 2-(methoxyiminomethyl)-3,5,6-trimethylphenol

2-(methoxyiminomethyl)-3,5,6-trimethylphenol (PubChem CID 136611269) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(methoxyiminomethyl)-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-(methoxyiminomethyl)-3,5,6-trimethylphenol
PubChem CID136611269
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(methoxyiminomethyl)-3,5,6-trimethylphenol
SMILESCON=Cc1c(C)cc(C)c(C)c1O
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)10(6-12-14-4)11(13)9(7)3/h5-6,13H,1-4H3
InChIKeyJXCLBPKLUPXPRY-UHFFFAOYSA-N
XLogP2.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(methoxyiminomethyl)-3,5,6-trimethylphenol 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 2-(methoxyiminomethyl)-3,5,6-trimethylphenol?
The IUPAC name of 2-(methoxyiminomethyl)-3,5,6-trimethylphenol (CID 136611269) is 2-(methoxyiminomethyl)-3,5,6-trimethylphenol.
What is the SMILES notation for 2-(methoxyiminomethyl)-3,5,6-trimethylphenol?
The canonical SMILES for 2-(methoxyiminomethyl)-3,5,6-trimethylphenol is CON=Cc1c(C)cc(C)c(C)c1O.
What is the InChIKey of 2-(methoxyiminomethyl)-3,5,6-trimethylphenol?
The InChIKey is JXCLBPKLUPXPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8(2)10(6-12-14-4)11(13)9(7)3/h5-6,13H,1-4H3.
What are the key properties of 2-(methoxyiminomethyl)-3,5,6-trimethylphenol?
2-(methoxyiminomethyl)-3,5,6-trimethylphenol has a molecular weight of 193.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyiminomethyl)-3,5,6-trimethylphenol is sourced from PubChem (CID 136611269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).