4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol

C12H11NO3 — CID 131842653

IUPAC4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol
SMILESOCc1ccc(/C=N/c2ccc(O)cc2)o1
InChIInChI=1S/C12H11NO3/c14-8-12-6-5-11(16-12)7-13-9-1-3-10(15)4-2-9/h1-7,14-15H,8H2/b13-7+
InChIKeyLPDGRBFYBUYNGG-NTUHNPAUSA-N
MW217.22 g/mol
LogP2.23
Rot. Bonds3

About 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol

4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol (PubChem CID 131842653) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol
PubChem CID131842653
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol
SMILESOCc1ccc(/C=N/c2ccc(O)cc2)o1
InChIInChI=1S/C12H11NO3/c14-8-12-6-5-11(16-12)7-13-9-1-3-10(15)4-2-9/h1-7,14-15H,8H2/b13-7+
InChIKeyLPDGRBFYBUYNGG-NTUHNPAUSA-N
XLogP2.23
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol?
The IUPAC name of 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol (CID 131842653) is 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol.
What is the SMILES notation for 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol?
The canonical SMILES for 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol is OCc1ccc(/C=N/c2ccc(O)cc2)o1.
What is the InChIKey of 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol?
The InChIKey is LPDGRBFYBUYNGG-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H11NO3/c14-8-12-6-5-11(16-12)7-13-9-1-3-10(15)4-2-9/h1-7,14-15H,8H2/b13-7+.
What are the key properties of 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol?
4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol has a molecular weight of 217.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]phenol is sourced from PubChem (CID 131842653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).