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Molecule
2,2′,4,4′-Tetrahydroxybenzophenone
CAS: 131-55-5 · C13H10O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 131-55-5
- Molecular Formula
- C13H10O5
- Molecular Mass
- 246.22 g/mol
Identifiers
CAS Registry Number
131-55-5
SMILES
O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
InChI Key
WXNRYSGJLQFHBR-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
Names and Synonyms
- 2,2′,4,4′-Tetrahydroxybenzophenone Systematic Name
- Methanone, bis(2,4-dihydroxyphenyl)- Synonym
- Benzophenone, 2,2′,4,4′-tetrahydroxy- Synonym
- Bis(2,4-dihydroxyphenyl)methanone Synonym
- Uvinul D 50 Synonym
- 2,2′,4,4′-Tetrahydroxybenzophenone Synonym
- 2,4,2′,4′-Tetrahydroxybenzophenone Synonym
- Benzophenone 2 Synonym
- T 0118 Synonym
- Sumisorb 150 Synonym
- Seesorb 106 Synonym
- Uvinul 3050 Synonym
- NSC 38556 Synonym
- 2,2′,4,4′-Tetrahydroxy diphenyl ketone Synonym
- Dainsorb P 6 Synonym
- SUV 1 Synonym
- BP 2 Synonym
- Eversorb 51 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.22 g/mol | CAS Common Chemistry |
| 246.218 g/mol | RDKit | |
| Boiling Point | 354 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(O)C=C1O)C2=CC=C(O)C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H | CAS Common Chemistry |
| InChI Key | InChIKey=WXNRYSGJLQFHBR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196-198 °C | CAS Common Chemistry |
| Name | 2,2′,4,4′-Tetrahydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| 97.99 Ų | RDKit | |
| LogP | 1.7399999999999998 | RDKit |
| 1.74 | RDKit | |
| Molar Refractivity | 62.975700000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 246.05282342 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 246.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O5.
