Ficifuranone A

C₉H₁₂O₄ — CID 139584106

About Ficifuranone A

Ficifuranone A (PubChem CID 139584106) has the molecular formula C₉H₁₂O₄ and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-(4-methyl-5-oxo-2H-furan-3-yl)butanoic acid.

Molecular Properties

• Compound Name: Ficifuranone A
• PubChem CID: 139584106
• Molecular Formula: C₉H₁₂O₄
• Molecular Weight: 184.19 g/mol
• Exact Mass: 184.07
• IUPAC Name: 4-(4-methyl-5-oxo-2H-furan-3-yl)butanoic acid
• SMILES: CC1=C(CCCC(=O)O)COC1=O
• InChI: InChI=1S/C9H12O4/c1-6-7(5-13-9(6)12)3-2-4-8(10)11/h2-5H2,1H3,(H,10,11)
• InChIKey: QFWGZKOYLFAYDY-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 63.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.19
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ficifuranone A?

The IUPAC name of Ficifuranone A (CID 139584106) is 4-(4-methyl-5-oxo-2H-furan-3-yl)butanoic acid.

What is the SMILES notation for Ficifuranone A?

The canonical SMILES for Ficifuranone A is CC1=C(CCCC(=O)O)COC1=O.

What is the InChIKey of Ficifuranone A?

The InChIKey is QFWGZKOYLFAYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-6-7(5-13-9(6)12)3-2-4-8(10)11/h2-5H2,1H3,(H,10,11).

What are the key properties of Ficifuranone A?

Ficifuranone A has a molecular weight of 184.19 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ficifuranone A is sourced from PubChem (CID 139584106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139584106 — identifiers, structure, computed properties (public domain)

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