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Molecule
2,2′-Dihydroxybenzophenone
CAS: 835-11-0 · C13H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 835-11-0
- Molecular Formula
- C13H10O3
- Molecular Mass
- 214.22 g/mol
Identifiers
CAS Registry Number
835-11-0
SMILES
O=C(c1ccccc1O)c1ccccc1O
InChI Key
YIYBRXKMQFDHSM-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H
Names and Synonyms
- 2,2′-Dihydroxybenzophenone Synonym
- Methanone, bis(2-hydroxyphenyl)- Synonym
- Benzophenone, 2,2′-dihydroxy- Synonym
- Bis(2-hydroxyphenyl)methanone Synonym
- 2,2′-Dihydroxybenzophenone Synonym
- Bis(2-hydroxyphenyl) ketone Synonym
- 2-(2-Hydroxybenzoyl)phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.22 g/mol | CAS Common Chemistry |
| Boiling Point | 333 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1O)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H | CAS Common Chemistry |
| InChI Key | InChIKey=YIYBRXKMQFDHSM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59.5 °C | CAS Common Chemistry |
| Name | 2,2′-Dihydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.3288000000000006 | RDKit |
| 2.3288 | RDKit | |
| Molar Refractivity | 59.646100000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.06299418 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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
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MW = 214.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O3.
