| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: Dioxybenzone Dioxybenzone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131-53-3 , [131-53-3]
(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone
131-53-3; 2,2'-Dihydroxy-4-methoxybenzophenone; C14283; Dioxybenzone
131-53-3; D03853; Dioxybenzone (USP/INN)
2,2'-Dihydroxy-4-methoxybenzophenone
2,2_quote_-dihydroxy-4-methoxybenzophenone
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.31 | 3.03 | -9.93 | 2 | 4 | 0 | 67 | 244.246 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 4.04 | -58.06 | 1 | 4 | -1 | 70 | 243.238 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 4.05 | -54.36 | 1 | 4 | -1 | 70 | 243.238 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 175 / 1 | TCI |
| MP | 71 | TCI |
| Indications | sunscreen | KeyOrganics Bioactives |
| Therapy | ultraviolet screen | SMDC Pharmakon |
