4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol

C11H15NO2 — CID 136994688

IUPAC4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
SMILESCCO/N=C(/C)c1ccc(O)c(C)c1
InChIInChI=1S/C11H15NO2/c1-4-14-12-9(3)10-5-6-11(13)8(2)7-10/h5-7,13H,4H2,1-3H3/b12-9-
InChIKeyZRCGBQVKLSMAOY-XFXZXTDPSA-N
MW193.25 g/mol
LogP2.46
Rot. Bonds3

About 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol

4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol (PubChem CID 136994688) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
PubChem CID136994688
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
SMILESCCO/N=C(/C)c1ccc(O)c(C)c1
InChIInChI=1S/C11H15NO2/c1-4-14-12-9(3)10-5-6-11(13)8(2)7-10/h5-7,13H,4H2,1-3H3/b12-9-
InChIKeyZRCGBQVKLSMAOY-XFXZXTDPSA-N
XLogP2.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.46
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 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol 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 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol?
The IUPAC name of 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol (CID 136994688) is 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol.
What is the SMILES notation for 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol?
The canonical SMILES for 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol is CCO/N=C(/C)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol?
The InChIKey is ZRCGBQVKLSMAOY-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-14-12-9(3)10-5-6-11(13)8(2)7-10/h5-7,13H,4H2,1-3H3/b12-9-.
What are the key properties of 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol?
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol has a molecular weight of 193.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol is sourced from PubChem (CID 136994688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).