4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol

C11H15NO2 — CID 136991359

IUPAC4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
SMILESCCO/N=C(\CC)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(12-14-4-2)9-5-7-10(13)8-6-9/h5-8,13H,3-4H2,1-2H3/b12-11+
InChIKeyCSECVQPRGVKAQU-VAWYXSNFSA-N
MW193.25 g/mol
LogP2.54
Rot. Bonds4

About 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol

4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol (PubChem CID 136991359) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
PubChem CID136991359
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol
SMILESCCO/N=C(\CC)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-3-11(12-14-4-2)9-5-7-10(13)8-6-9/h5-8,13H,3-4H2,1-2H3/b12-11+
InChIKeyCSECVQPRGVKAQU-VAWYXSNFSA-N
XLogP2.54
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.54
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-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol 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-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol?
The IUPAC name of 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol (CID 136991359) is 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol is CCO/N=C(\CC)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol?
The InChIKey is CSECVQPRGVKAQU-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(12-14-4-2)9-5-7-10(13)8-6-9/h5-8,13H,3-4H2,1-2H3/b12-11+.
What are the key properties of 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol?
4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol has a molecular weight of 193.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenol is sourced from PubChem (CID 136991359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).