Guaifenesin

C₁₀H₁₄O₄ — CID 3516

About Guaifenesin

Guaifenesin (PubChem CID 3516) has the molecular formula C₁₀H₁₄O₄ and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)propane-1,2-diol.

Molecular Properties

• Compound Name: Guaifenesin
• PubChem CID: 3516
• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.22 g/mol
• Exact Mass: 198.09
• IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol
• SMILES: COc1ccccc1OCC(O)CO
• InChI: InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
• InChIKey: HSRJKNPTNIJEKV-UHFFFAOYSA-N
• XLogP: 0.43
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	198.22
LogP ≤ 5	0.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Guaifenesin?

The IUPAC name of Guaifenesin (CID 3516) is 3-(2-methoxyphenoxy)propane-1,2-diol.

What is the SMILES notation for Guaifenesin?

The canonical SMILES for Guaifenesin is COc1ccccc1OCC(O)CO.

What is the InChIKey of Guaifenesin?

The InChIKey is HSRJKNPTNIJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3.

What are the key properties of Guaifenesin?

Guaifenesin has a molecular weight of 198.22 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Guaifenesin is sourced from PubChem (CID 3516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3516 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1336 — approved-drug record (CC BY-SA 4.0)

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