Dioxybenzone

C₁₄H₁₂O₄ — CID 8569

About Dioxybenzone

Dioxybenzone (PubChem CID 8569) has the molecular formula C₁₄H₁₂O₄ and a molecular weight of 244.25 g/mol. Its IUPAC name is (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

• Compound Name: Dioxybenzone
• PubChem CID: 8569
• Molecular Formula: C₁₄H₁₂O₄
• Molecular Weight: 244.25 g/mol
• Exact Mass: 244.07
• IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
• SMILES: COc1ccc(C(=O)c2ccccc2O)c(O)c1
• InChI: InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3
• InChIKey: MEZZCSHVIGVWFI-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.25
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Dioxybenzone?

The IUPAC name of Dioxybenzone (CID 8569) is (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone.

What is the SMILES notation for Dioxybenzone?

The canonical SMILES for Dioxybenzone is COc1ccc(C(=O)c2ccccc2O)c(O)c1.

What is the InChIKey of Dioxybenzone?

The InChIKey is MEZZCSHVIGVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3.

What are the key properties of Dioxybenzone?

Dioxybenzone has a molecular weight of 244.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dioxybenzone is sourced from PubChem (CID 8569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8569 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3159 — approved-drug record (CC BY-SA 4.0)

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