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2-Hydroxy-5-Methylbenzophenone
CAS: 1470-57-1 | C14H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1470-57-1
Molecular Formula:
C14H12O2
Molecular Mass:
212.25 g/mol
Names and Synonyms:
2-Hydroxy-5-Methylbenzophenone
2-Hydroxy-5-methylbenzophenone
Methanone, (2-hydroxy-5-methylphenyl)phenyl-
Benzophenone, 2-hydroxy-5-methyl-
(2-Hydroxy-5-methylphenyl)phenylmethanone
5-Methyl-2-hydroxybenzophenone
2-Benzoyl-4-methylphenol
NSC 296
Identifiers:
SMILES:
Cc1ccc(O)c(C(=O)c2ccccc2)c1
InChI:
InChI=1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
Key Properties
Melting Point
84 °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 | 212.25 g/mol | CAS Common Chemistry |
| 212.24800000000002 g/mol | RDKit | |
| 212.083729624 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC(=CC=C2O)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OQERFUGURPLBQH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-5-methylbenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.9316200000000006 | RDKit |
| Molar Refractivity | 62.718300000000035 | RDKit |
