Ethylparaben

C₉H₁₀O₃ — CID 8434

About Ethylparaben

Ethylparaben (PubChem CID 8434) has the molecular formula C₉H₁₀O₃ and a molecular weight of 166.18 g/mol. Its IUPAC name is ethyl 4-hydroxybenzoate.

Molecular Properties

• Compound Name: Ethylparaben
• PubChem CID: 8434
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.18 g/mol
• Exact Mass: 166.06
• IUPAC Name: ethyl 4-hydroxybenzoate
• SMILES: CCOC(=O)c1ccc(O)cc1
• InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
• InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.18
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethylparaben?

The IUPAC name of Ethylparaben (CID 8434) is ethyl 4-hydroxybenzoate.

What is the SMILES notation for Ethylparaben?

The canonical SMILES for Ethylparaben is CCOC(=O)c1ccc(O)cc1.

What is the InChIKey of Ethylparaben?

The InChIKey is NUVBSKCKDOMJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3.

What are the key properties of Ethylparaben?

Ethylparaben has a molecular weight of 166.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethylparaben is sourced from PubChem (CID 8434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8434 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4773 — approved-drug record (CC BY-SA 4.0)

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