Oxilofrine

C₁₀H₁₅NO₂ — CID 688009

About Oxilofrine

Oxilofrine (PubChem CID 688009) has the molecular formula C₁₀H₁₅NO₂ and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol.

Molecular Properties

• Compound Name: Oxilofrine
• PubChem CID: 688009
• Molecular Formula: C₁₀H₁₅NO₂
• Molecular Weight: 181.23 g/mol
• Exact Mass: 181.11
• IUPAC Name: 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol
• SMILES: CN[C@@H](C)[C@H](O)c1ccc(O)cc1
• InChI: InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/m0/s1
• InChIKey: OXFGTKPPFSCSMA-XVKPBYJWSA-N
• XLogP: 1.03
• TPSA: 52.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.23
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Oxilofrine?

The IUPAC name of Oxilofrine (CID 688009) is 4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]phenol.

What is the SMILES notation for Oxilofrine?

The canonical SMILES for Oxilofrine is CN[C@@H](C)[C@H](O)c1ccc(O)cc1.

What is the InChIKey of Oxilofrine?

The InChIKey is OXFGTKPPFSCSMA-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11-2)10(13)8-3-5-9(12)6-4-8/h3-7,10-13H,1-2H3/t7-,10-/m0/s1.

What are the key properties of Oxilofrine?

Oxilofrine has a molecular weight of 181.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Oxilofrine is sourced from PubChem (CID 688009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 688009 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3286 — approved-drug record (CC BY-SA 4.0)

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