Back to Search
Molecule
Oxybenzone
CAS: 131-57-7 · C14H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 131-57-7
- Molecular Formula
- C14H12O3
- Molecular Mass
- 228.25 g/mol
Identifiers
CAS Registry Number
131-57-7
SMILES
COc1ccc(C(=O)c2ccccc2)c(O)c1
InChI Key
DXGLGDHPHMLXJC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
Names and Synonyms
- Oxybenzone Common Name
- Methanone, (2-hydroxy-4-methoxyphenyl)phenyl- Synonym
- Benzophenone, 2-hydroxy-4-methoxy- Synonym
- (2-Hydroxy-4-methoxyphenyl)phenylmethanone Synonym
- Cyasorb UV 9 Synonym
- Cyasorb UV 9 Light Absorber Synonym
- Spectra-Sorb UV 9 Synonym
- Uvinul M 40 Synonym
- UF 3 Synonym
- 4-Methoxy-2-hydroxybenzophenone Synonym
- Oxybenzone Synonym
- MOB Synonym
- UV 9 Synonym
- Advastab 45 Synonym
- Benzophenone 3 Synonym
- Sunscreen UV 15 Synonym
- Chimassorb 90 Synonym
- Oxybenzon Synonym
- Anuvex Synonym
- Uvistat 24 Synonym
- Uvinul 9 Synonym
- Syntase 62 Synonym
- Ongrostab HMB Synonym
- 2-Benzoyl-5-methoxyphenol Synonym
- Sumisorb 110 Synonym
- Aduvex 24 Synonym
- ASL 24 Synonym
- Escalol 567 Synonym
- Seesorb 101 Synonym
- 2-Hydroxy-4-methoxybenzophenone Synonym
- Viosorb 110 Synonym
- Uvinul 3040 Synonym
- Neo Heliopan BB Synonym
- Onzone Synonym
- Uvasorb MET/C Synonym
- NSC 7778 Synonym
- Tinosorb B 3 Synonym
- Jeescreen Benzophenone 3 Synonym
- Eusolex 4360 Synonym
- Kemisorb 11 Synonym
- Uvinul MC 40 Synonym
- Sunscreen 567 Synonym
- BP 3 Synonym
- Speedblock UV 9 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.25 g/mol | CAS Common Chemistry |
| 228.247 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oxybenzone | CAS Common Chemistry |
| Boiling Point | 155 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(OC)C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DXGLGDHPHMLXJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 66 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-4-methoxybenzophenone | CAS Common Chemistry |
| Oxybenzone | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.631800000000001 | RDKit |
| 2.6318 | RDKit | |
| Molar Refractivity | 64.53330000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 228.078644244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 228.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12O3.
