Mephenesin

C₁₀H₁₄O₃ — CID 4059

About Mephenesin

Mephenesin (PubChem CID 4059) has the molecular formula C₁₀H₁₄O₃ and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2-methylphenoxy)propane-1,2-diol.

Molecular Properties

• Compound Name: Mephenesin
• PubChem CID: 4059
• Molecular Formula: C₁₀H₁₄O₃
• Molecular Weight: 182.22 g/mol
• Exact Mass: 182.09
• IUPAC Name: 3-(2-methylphenoxy)propane-1,2-diol
• SMILES: Cc1ccccc1OCC(O)CO
• InChI: InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
• InChIKey: JWDYCNIAQWPBHD-UHFFFAOYSA-N
• XLogP: 0.73
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.22
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Mephenesin?

The IUPAC name of Mephenesin (CID 4059) is 3-(2-methylphenoxy)propane-1,2-diol.

What is the SMILES notation for Mephenesin?

The canonical SMILES for Mephenesin is Cc1ccccc1OCC(O)CO.

What is the InChIKey of Mephenesin?

The InChIKey is JWDYCNIAQWPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3.

What are the key properties of Mephenesin?

Mephenesin has a molecular weight of 182.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Mephenesin is sourced from PubChem (CID 4059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4059 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1691 — approved-drug record (CC BY-SA 4.0)

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