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Molecule
2,4′-Dihydroxybenzophenone
CAS: 606-12-2 · C13H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 606-12-2
- Molecular Formula
- C13H10O3
- Molecular Mass
- 214.22 g/mol
Identifiers
CAS Registry Number
606-12-2
SMILES
O=C(c1ccc(O)cc1)c1ccccc1O
InChI Key
HUYKZYIAFUBPAQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,14-15H
Names and Synonyms
- 2,4′-Dihydroxybenzophenone Synonym
- Methanone, (2-hydroxyphenyl)(4-hydroxyphenyl)- Synonym
- Benzophenone, 2,4′-dihydroxy- Synonym
- (2-Hydroxyphenyl)(4-hydroxyphenyl)methanone Synonym
- 2,4′-Dihydroxybenzophenone Synonym
- NSC 2832 Synonym
- 2-(4-Hydroxybenzoyl)phenol Synonym
- UV 5 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.22 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(O)C=C1)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O3/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,14-15H | CAS Common Chemistry |
| InChI Key | InChIKey=HUYKZYIAFUBPAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150-151 °C | CAS Common Chemistry |
| Name | 2,4′-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
7
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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
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MW = 214.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O3.
