Methocarbamol

C₁₁H₁₅NO₅ — CID 4107

About Methocarbamol

Methocarbamol (PubChem CID 4107) has the molecular formula C₁₁H₁₅NO₅ and a molecular weight of 241.24 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate.

Molecular Properties

• Compound Name: Methocarbamol
• PubChem CID: 4107
• Molecular Formula: C₁₁H₁₅NO₅
• Molecular Weight: 241.24 g/mol
• Exact Mass: 241.10
• IUPAC Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate
• SMILES: COc1ccccc1OCC(O)COC(N)=O
• InChI: InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
• InChIKey: GNXFOGHNGIVQEH-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 91.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.24
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methocarbamol?

The IUPAC name of Methocarbamol (CID 4107) is [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate.

What is the SMILES notation for Methocarbamol?

The canonical SMILES for Methocarbamol is COc1ccccc1OCC(O)COC(N)=O.

What is the InChIKey of Methocarbamol?

The InChIKey is GNXFOGHNGIVQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14).

What are the key properties of Methocarbamol?

Methocarbamol has a molecular weight of 241.24 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methocarbamol is sourced from PubChem (CID 4107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4107 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1747 — approved-drug record (CC BY-SA 4.0)

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