4-chloro-2-(furan-2-ylmethylideneamino)phenol

C11H8ClNO2 — CID 2358282

IUPAC4-chloro-2-(furan-2-ylmethylideneamino)phenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccco1
InChIInChI=1S/C11H8ClNO2/c12-8-3-4-11(14)10(6-8)13-7-9-2-1-5-15-9/h1-7,14H/b13-7+
InChIKeyICJISLWERMRRBT-NTUHNPAUSA-N
MW221.64 g/mol
LogP3.39
Rot. Bonds2

About 4-chloro-2-(furan-2-ylmethylideneamino)phenol

4-chloro-2-(furan-2-ylmethylideneamino)phenol (PubChem CID 2358282) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylideneamino)phenol.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylideneamino)phenol
PubChem CID2358282
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name4-chloro-2-(furan-2-ylmethylideneamino)phenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccco1
InChIInChI=1S/C11H8ClNO2/c12-8-3-4-11(14)10(6-8)13-7-9-2-1-5-15-9/h1-7,14H/b13-7+
InChIKeyICJISLWERMRRBT-NTUHNPAUSA-N
XLogP3.39
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-(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-chloro-2-(furan-2-ylmethylideneamino)phenol?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylideneamino)phenol (CID 2358282) is 4-chloro-2-(furan-2-ylmethylideneamino)phenol.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylideneamino)phenol?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylideneamino)phenol is Oc1ccc(Cl)cc1/N=C/c1ccco1.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylideneamino)phenol?
The InChIKey is ICJISLWERMRRBT-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-8-3-4-11(14)10(6-8)13-7-9-2-1-5-15-9/h1-7,14H/b13-7+.
What are the key properties of 4-chloro-2-(furan-2-ylmethylideneamino)phenol?
4-chloro-2-(furan-2-ylmethylideneamino)phenol has a molecular weight of 221.64 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylideneamino)phenol is sourced from PubChem (CID 2358282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).