Methylparaben

C₈H₈O₃ — CID 7456

About Methylparaben

Methylparaben (PubChem CID 7456) has the molecular formula C₈H₈O₃ and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 4-hydroxybenzoate.

Molecular Properties

• Compound Name: Methylparaben
• PubChem CID: 7456
• Molecular Formula: C₈H₈O₃
• Molecular Weight: 152.15 g/mol
• Exact Mass: 152.05
• IUPAC Name: methyl 4-hydroxybenzoate
• SMILES: COC(=O)c1ccc(O)cc1
• InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
• InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.15
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methylparaben?

The IUPAC name of Methylparaben (CID 7456) is methyl 4-hydroxybenzoate.

What is the SMILES notation for Methylparaben?

The canonical SMILES for Methylparaben is COC(=O)c1ccc(O)cc1.

What is the InChIKey of Methylparaben?

The InChIKey is LXCFILQKKLGQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3.

What are the key properties of Methylparaben?

Methylparaben has a molecular weight of 152.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methylparaben is sourced from PubChem (CID 7456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7456 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1766 — approved-drug record (CC BY-SA 4.0)

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