2-ethoxy-6-(phenyliminomethyl)phenol

C15H15NO2 — CID 135657442

IUPAC2-ethoxy-6-(phenyliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C15H15NO2/c1-2-18-14-10-6-7-12(15(14)17)11-16-13-8-4-3-5-9-13/h3-11,17H,2H2,1H3/b16-11+
InChIKeyAOOSXBMSPLPVBE-LFIBNONCSA-N
MW241.29 g/mol
LogP3.54
Rot. Bonds4

About 2-ethoxy-6-(phenyliminomethyl)phenol

2-ethoxy-6-(phenyliminomethyl)phenol (PubChem CID 135657442) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-ethoxy-6-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(phenyliminomethyl)phenol
PubChem CID135657442
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-ethoxy-6-(phenyliminomethyl)phenol
SMILESCCOc1cccc(/C=N/c2ccccc2)c1O
InChIInChI=1S/C15H15NO2/c1-2-18-14-10-6-7-12(15(14)17)11-16-13-8-4-3-5-9-13/h3-11,17H,2H2,1H3/b16-11+
InChIKeyAOOSXBMSPLPVBE-LFIBNONCSA-N
XLogP3.54
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(phenyliminomethyl)phenol?
The IUPAC name of 2-ethoxy-6-(phenyliminomethyl)phenol (CID 135657442) is 2-ethoxy-6-(phenyliminomethyl)phenol.
What is the SMILES notation for 2-ethoxy-6-(phenyliminomethyl)phenol?
The canonical SMILES for 2-ethoxy-6-(phenyliminomethyl)phenol is CCOc1cccc(/C=N/c2ccccc2)c1O.
What is the InChIKey of 2-ethoxy-6-(phenyliminomethyl)phenol?
The InChIKey is AOOSXBMSPLPVBE-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-18-14-10-6-7-12(15(14)17)11-16-13-8-4-3-5-9-13/h3-11,17H,2H2,1H3/b16-11+.
What are the key properties of 2-ethoxy-6-(phenyliminomethyl)phenol?
2-ethoxy-6-(phenyliminomethyl)phenol has a molecular weight of 241.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(phenyliminomethyl)phenol is sourced from PubChem (CID 135657442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).