Propylparaben

C₁₀H₁₂O₃ — CID 7175

About Propylparaben

Propylparaben (PubChem CID 7175) has the molecular formula C₁₀H₁₂O₃ and a molecular weight of 180.20 g/mol. Its IUPAC name is propyl 4-hydroxybenzoate.

Molecular Properties

• Compound Name: Propylparaben
• PubChem CID: 7175
• Molecular Formula: C₁₀H₁₂O₃
• Molecular Weight: 180.20 g/mol
• Exact Mass: 180.08
• IUPAC Name: propyl 4-hydroxybenzoate
• SMILES: CCCOC(=O)c1ccc(O)cc1
• InChI: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
• InChIKey: QELSKZZBTMNZEB-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.20
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Propylparaben?

The IUPAC name of Propylparaben (CID 7175) is propyl 4-hydroxybenzoate.

What is the SMILES notation for Propylparaben?

The canonical SMILES for Propylparaben is CCCOC(=O)c1ccc(O)cc1.

What is the InChIKey of Propylparaben?

The InChIKey is QELSKZZBTMNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3.

What are the key properties of Propylparaben?

Propylparaben has a molecular weight of 180.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Propylparaben is sourced from PubChem (CID 7175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7175 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2307 — approved-drug record (CC BY-SA 4.0)

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