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2,2′-Dihydroxy-4,4′-Dimethoxybenzophenone
CAS: 131-54-4 | C15H14O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
131-54-4
Molecular Formula:
C15H14O5
Molecular Mass:
274.27 g/mol
Names and Synonyms:
2,2′-Dihydroxy-4,4′-Dimethoxybenzophenone
Methanone, bis(2-hydroxy-4-methoxyphenyl)-
Benzophenone, 2,2′-dihydroxy-4,4′-dimethoxy-
Bis(2-hydroxy-4-methoxyphenyl)methanone
2,2′-Dihydroxy-4,4′-dimethoxybenzophenone
Uvinul D 49
Cyasorb UV 12
Benzophenone 6
4,4′-Dimethoxy-2,2′-dihydroxybenzophenone
Uvinul 3049
Seesorb 107
NSC 40149
UV 49
2-(2-Hydroxy-4-methoxybenzoyl)-5-methoxyphenol
BP 6
BP 6 (UV absorber)
Dainsorb P 7
Identifiers:
SMILES:
COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1
InChI:
InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3
Key Properties
Melting Point
139.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.27 g/mol | CAS Common Chemistry |
| 274.272 g/mol | RDKit | |
| 274.08412354800004 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C(OC)C=C1O)C2=CC=C(OC)C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O5/c1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17/h3-8,16-17H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SODJJEXAWOSSON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 139.5 °C | CAS Common Chemistry |
| Name | 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 75.99000000000001 Ų | RDKit |
| LogP | 2.346000000000001 | RDKit |
| Molar Refractivity | 72.75010000000002 | RDKit |
