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Molecule
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
Identifiers
CAS Registry Number
131-54-4
SMILES
COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1
InChI Key
SODJJEXAWOSSON-UHFFFAOYSA-N
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
Names and Synonyms
- 2,2′-Dihydroxy-4,4′-Dimethoxybenzophenone Systematic Name
- Methanone, bis(2-hydroxy-4-methoxyphenyl)- Synonym
- Benzophenone, 2,2′-dihydroxy-4,4′-dimethoxy- Synonym
- Bis(2-hydroxy-4-methoxyphenyl)methanone Synonym
- 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone Synonym
- Uvinul D 49 Synonym
- Cyasorb UV 12 Synonym
- Benzophenone 6 Synonym
- 4,4′-Dimethoxy-2,2′-dihydroxybenzophenone Synonym
- Uvinul 3049 Synonym
- Seesorb 107 Synonym
- NSC 40149 Synonym
- UV 49 Synonym
- 2-(2-Hydroxy-4-methoxybenzoyl)-5-methoxyphenol Synonym
- BP 6 Synonym
- BP 6 (UV absorber) Synonym
- Dainsorb P 7 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 274.27 g/mol | CAS Common Chemistry |
| 274.272 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 |
| 75.99 Ų | RDKit | |
| LogP | 2.346000000000001 | RDKit |
| 2.346 | RDKit | |
| Molar Refractivity | 72.75010000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 274.08412354800004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 274.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O5.
