Monobenzone

C₁₃H₁₂O₂ — CID 7638

About Monobenzone

Monobenzone (PubChem CID 7638) has the molecular formula C₁₃H₁₂O₂ and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-phenylmethoxyphenol.

Molecular Properties

• Compound Name: Monobenzone
• PubChem CID: 7638
• Molecular Formula: C₁₃H₁₂O₂
• Molecular Weight: 200.24 g/mol
• Exact Mass: 200.08
• IUPAC Name: 4-phenylmethoxyphenol
• SMILES: Oc1ccc(OCc2ccccc2)cc1
• InChI: InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
• InChIKey: VYQNWZOUAUKGHI-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	200.24
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Monobenzone?

The IUPAC name of Monobenzone (CID 7638) is 4-phenylmethoxyphenol.

What is the SMILES notation for Monobenzone?

The canonical SMILES for Monobenzone is Oc1ccc(OCc2ccccc2)cc1.

What is the InChIKey of Monobenzone?

The InChIKey is VYQNWZOUAUKGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2.

What are the key properties of Monobenzone?

Monobenzone has a molecular weight of 200.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Monobenzone is sourced from PubChem (CID 7638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7638 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1834 — approved-drug record (CC BY-SA 4.0)

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