Xenbucin

C₁₆H₁₆O₂ — CID 13737

About Xenbucin

Xenbucin (PubChem CID 13737) has the molecular formula C₁₆H₁₆O₂ and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-phenylphenyl)butanoic acid.

Molecular Properties

• Compound Name: Xenbucin
• PubChem CID: 13737
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.30 g/mol
• Exact Mass: 240.12
• IUPAC Name: 2-(4-phenylphenyl)butanoic acid
• SMILES: CCC(C(=O)O)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18)
• InChIKey: IYEPZNKOJZOGJG-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.30
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Xenbucin?

The IUPAC name of Xenbucin (CID 13737) is 2-(4-phenylphenyl)butanoic acid.

What is the SMILES notation for Xenbucin?

The canonical SMILES for Xenbucin is CCC(C(=O)O)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of Xenbucin?

The InChIKey is IYEPZNKOJZOGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,15H,2H2,1H3,(H,17,18).

What are the key properties of Xenbucin?

Xenbucin has a molecular weight of 240.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Xenbucin is sourced from PubChem (CID 13737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13737 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3656 — approved-drug record (CC BY-SA 4.0)

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