2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol

C13H13NO3 — CID 135787689

IUPAC2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Cc2ccco2)c1
InChIInChI=1S/C13H13NO3/c1-16-11-4-5-13(15)10(7-11)8-14-9-12-3-2-6-17-12/h2-8,15H,9H2,1H3/b14-8+
InChIKeyJZYURVUNBLXPLS-RIYZIHGNSA-N
MW231.25 g/mol
LogP2.61
Rot. Bonds4

About 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol

2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol (PubChem CID 135787689) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol
PubChem CID135787689
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/Cc2ccco2)c1
InChIInChI=1S/C13H13NO3/c1-16-11-4-5-13(15)10(7-11)8-14-9-12-3-2-6-17-12/h2-8,15H,9H2,1H3/b14-8+
InChIKeyJZYURVUNBLXPLS-RIYZIHGNSA-N
XLogP2.61
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethyliminomethyl)-4-methoxyphenol?
The IUPAC name of 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol (CID 135787689) is 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol?
The canonical SMILES for 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol is COc1ccc(O)c(/C=N/Cc2ccco2)c1.
What is the InChIKey of 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol?
The InChIKey is JZYURVUNBLXPLS-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-11-4-5-13(15)10(7-11)8-14-9-12-3-2-6-17-12/h2-8,15H,9H2,1H3/b14-8+.
What are the key properties of 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol?
2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol has a molecular weight of 231.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyliminomethyl)-4-methoxyphenol is sourced from PubChem (CID 135787689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).