Iron oxide

Fe₂O₃ — CID 518696

About Iron oxide

Iron oxide (PubChem CID 518696) has the molecular formula Fe₂O₃ and a molecular weight of 159.69 g/mol. Its IUPAC name is oxo(oxoferriooxy)iron.

Molecular Properties

• Compound Name: Iron oxide
• PubChem CID: 518696
• Molecular Formula: Fe₂O₃
• Molecular Weight: 159.69 g/mol
• Exact Mass: 159.85
• IUPAC Name: oxo(oxoferriooxy)iron
• SMILES: O=[Fe]O[Fe]=O
• InChI: InChI=1S/2Fe.3O
• InChIKey: JEIPFZHSYJVQDO-UHFFFAOYSA-N
• XLogP: -0.31
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	159.69
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Iron oxide?

The IUPAC name of Iron oxide (CID 518696) is oxo(oxoferriooxy)iron.

What is the SMILES notation for Iron oxide?

The canonical SMILES for Iron oxide is O=[Fe]O[Fe]=O.

What is the InChIKey of Iron oxide?

The InChIKey is JEIPFZHSYJVQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.3O.

What are the key properties of Iron oxide?

Iron oxide has a molecular weight of 159.69 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Iron oxide is sourced from PubChem (CID 518696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 518696 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4443 — approved-drug record (CC BY-SA 4.0)

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