2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol

C12H9Cl2NO2 — CID 135787687

IUPAC2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Cc1ccco1
InChIInChI=1S/C12H9Cl2NO2/c13-9-4-8(12(16)11(14)5-9)6-15-7-10-2-1-3-17-10/h1-6,16H,7H2/b15-6+
InChIKeyPTIRCJBULUHWGJ-GIDUJCDVSA-N
MW270.12 g/mol
LogP3.91
Rot. Bonds3

About 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol

2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol (PubChem CID 135787687) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol
PubChem CID135787687
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Cc1ccco1
InChIInChI=1S/C12H9Cl2NO2/c13-9-4-8(12(16)11(14)5-9)6-15-7-10-2-1-3-17-10/h1-6,16H,7H2/b15-6+
InChIKeyPTIRCJBULUHWGJ-GIDUJCDVSA-N
XLogP3.91
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.91
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 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol?
The IUPAC name of 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol (CID 135787687) is 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol is Oc1c(Cl)cc(Cl)cc1/C=N/Cc1ccco1.
What is the InChIKey of 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol?
The InChIKey is PTIRCJBULUHWGJ-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-9-4-8(12(16)11(14)5-9)6-15-7-10-2-1-3-17-10/h1-6,16H,7H2/b15-6+.
What are the key properties of 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol?
2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol has a molecular weight of 270.12 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(furan-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 135787687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).