dioxybenzone

Synonyms: "2,2'-dihydroxy-4-methoxybenzophenone", "benzophenone-8", "dioxybenzon", "advastab 47", "spectra-sorb UV 24", "(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone", "UF 2", "Dioxibenzonum".

Source: Dioxybenzone is an organic compound used in sunscreen to block UVB and short-wave UVA (ultraviolet) rays.

Identifiers:

IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CAS Number: 131-53-3
PubChem ID: 8569
InChiKey: MEZZCSHVIGVWFI-UHFFFAOYSA-N
Canonical SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

Structural Properties:

Molecular Formula: C14H12O4
Molecular Weight: 244.246

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 18

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
newtab


Kawamura Y, Mutsuga M, Kato T, Iida M, Tanamoto K. 2005. Estrogenic and anti-androgenic activities of benzophenones in human estrogen and androgen receptor mediated mammalian reporter gene assays. Journal of Health Science 51(1):48-54. DOI: 10.1248/jhs.51.48. URL: https://www.jstage.jst.go.jp/article/jhs/51/1/51_1_48/_article.
Kawamura Y, Ogawa Y, Nishimura T, Kikuchi Y, Nishikawa J, Nishihara T, Tanamoto K. 2003. Estrogenic activities of UV stabilizers used in food contact plastics and benzophenone derivatives tested by the yeast two-hybrid assay. Journal of Health Science 49(3):205-212. DOI: 10.1248/jhs.49.205. URL: https://www.jstage.jst.go.jp/article/jhs/49/3/49_3_205/_article.

External Links

iconicon

2D-structure

2d_structure

3D-structure

3d_structure