Nabumetone

C₁₅H₁₆O₂ — CID 4409

About Nabumetone

Nabumetone (PubChem CID 4409) has the molecular formula C₁₅H₁₆O₂ and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)butan-2-one.

Molecular Properties

• Compound Name: Nabumetone
• PubChem CID: 4409
• Molecular Formula: C₁₅H₁₆O₂
• Molecular Weight: 228.29 g/mol
• Exact Mass: 228.12
• IUPAC Name: 4-(6-methoxynaphthalen-2-yl)butan-2-one
• SMILES: COc1ccc2cc(CCC(C)=O)ccc2c1
• InChI: InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
• InChIKey: BLXXJMDCKKHMKV-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	228.29
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Nabumetone?

The IUPAC name of Nabumetone (CID 4409) is 4-(6-methoxynaphthalen-2-yl)butan-2-one.

What is the SMILES notation for Nabumetone?

The canonical SMILES for Nabumetone is COc1ccc2cc(CCC(C)=O)ccc2c1.

What is the InChIKey of Nabumetone?

The InChIKey is BLXXJMDCKKHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3.

What are the key properties of Nabumetone?

Nabumetone has a molecular weight of 228.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Nabumetone is sourced from PubChem (CID 4409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4409 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1863 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.