4-chloro-3-(furan-2-ylmethyliminomethyl)phenol

C12H10ClNO2 — CID 25269240

IUPAC4-chloro-3-(furan-2-ylmethyliminomethyl)phenol
SMILESOc1ccc(Cl)c(/C=N/Cc2ccco2)c1
InChIInChI=1S/C12H10ClNO2/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-7,15H,8H2/b14-7+
InChIKeyVZTQPBIRGPEYDZ-VGOFMYFVSA-N
MW235.67 g/mol
LogP3.26
Rot. Bonds3

About 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol

4-chloro-3-(furan-2-ylmethyliminomethyl)phenol (PubChem CID 25269240) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol.

Molecular Properties

Compound Name4-chloro-3-(furan-2-ylmethyliminomethyl)phenol
PubChem CID25269240
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-chloro-3-(furan-2-ylmethyliminomethyl)phenol
SMILESOc1ccc(Cl)c(/C=N/Cc2ccco2)c1
InChIInChI=1S/C12H10ClNO2/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-7,15H,8H2/b14-7+
InChIKeyVZTQPBIRGPEYDZ-VGOFMYFVSA-N
XLogP3.26
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.26
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 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol?
The IUPAC name of 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol (CID 25269240) is 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol.
What is the SMILES notation for 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol?
The canonical SMILES for 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol is Oc1ccc(Cl)c(/C=N/Cc2ccco2)c1.
What is the InChIKey of 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol?
The InChIKey is VZTQPBIRGPEYDZ-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-7,15H,8H2/b14-7+.
What are the key properties of 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol?
4-chloro-3-(furan-2-ylmethyliminomethyl)phenol has a molecular weight of 235.67 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(furan-2-ylmethyliminomethyl)phenol is sourced from PubChem (CID 25269240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).