4-(furan-2-ylmethylideneamino)phenol

C11H9NO2 — CID 674723

IUPAC4-(furan-2-ylmethylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H9NO2/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h1-8,13H/b12-8+
InChIKeyOQKBHMCXTJSDLH-XYOKQWHBSA-N
MW187.20 g/mol
LogP2.74
Rot. Bonds2

About 4-(furan-2-ylmethylideneamino)phenol

4-(furan-2-ylmethylideneamino)phenol (PubChem CID 674723) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(furan-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name4-(furan-2-ylmethylideneamino)phenol
PubChem CID674723
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-(furan-2-ylmethylideneamino)phenol
SMILESOc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H9NO2/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h1-8,13H/b12-8+
InChIKeyOQKBHMCXTJSDLH-XYOKQWHBSA-N
XLogP2.74
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(furan-2-ylmethylideneamino)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-(furan-2-ylmethylideneamino)phenol?
The IUPAC name of 4-(furan-2-ylmethylideneamino)phenol (CID 674723) is 4-(furan-2-ylmethylideneamino)phenol.
What is the SMILES notation for 4-(furan-2-ylmethylideneamino)phenol?
The canonical SMILES for 4-(furan-2-ylmethylideneamino)phenol is Oc1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of 4-(furan-2-ylmethylideneamino)phenol?
The InChIKey is OQKBHMCXTJSDLH-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H9NO2/c13-10-5-3-9(4-6-10)12-8-11-2-1-7-14-11/h1-8,13H/b12-8+.
What are the key properties of 4-(furan-2-ylmethylideneamino)phenol?
4-(furan-2-ylmethylideneamino)phenol has a molecular weight of 187.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylideneamino)phenol is sourced from PubChem (CID 674723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).