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

C13H13NO3 — CID 557406

IUPAC4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol
SMILESCOc1cc(/C=N/Cc2ccco2)ccc1O
InChIInChI=1S/C13H13NO3/c1-16-13-7-10(4-5-12(13)15)8-14-9-11-3-2-6-17-11/h2-8,15H,9H2,1H3/b14-8+
InChIKeyHGRSNSKJFXSUTL-RIYZIHGNSA-N
MW231.25 g/mol
LogP2.61
Rot. Bonds4

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

4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol (PubChem CID 557406) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol
PubChem CID557406
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol
SMILESCOc1cc(/C=N/Cc2ccco2)ccc1O
InChIInChI=1S/C13H13NO3/c1-16-13-7-10(4-5-12(13)15)8-14-9-11-3-2-6-17-11/h2-8,15H,9H2,1H3/b14-8+
InChIKeyHGRSNSKJFXSUTL-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 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol?
The IUPAC name of 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol (CID 557406) is 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol?
The canonical SMILES for 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol is COc1cc(/C=N/Cc2ccco2)ccc1O.
What is the InChIKey of 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol?
The InChIKey is HGRSNSKJFXSUTL-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-13-7-10(4-5-12(13)15)8-14-9-11-3-2-6-17-11/h2-8,15H,9H2,1H3/b14-8+.
What are the key properties of 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol?
4-(furan-2-ylmethyliminomethyl)-2-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 4-(furan-2-ylmethyliminomethyl)-2-methoxyphenol is sourced from PubChem (CID 557406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).