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Molecule
2-Hydroxy-5-Methylbenzophenone
CAS: 1470-57-1 · C14H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1470-57-1
- Molecular Formula
- C14H12O2
- Molecular Mass
- 212.25 g/mol
Identifiers
CAS Registry Number
1470-57-1
SMILES
Cc1ccc(O)c(C(=O)c2ccccc2)c1
InChI Key
OQERFUGURPLBQH-UHFFFAOYSA-N
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
Names and Synonyms
- 2-Hydroxy-5-Methylbenzophenone Systematic Name
- 2-Hydroxy-5-methylbenzophenone Synonym
- Methanone, (2-hydroxy-5-methylphenyl)phenyl- Synonym
- Benzophenone, 2-hydroxy-5-methyl- Synonym
- (2-Hydroxy-5-methylphenyl)phenylmethanone Synonym
- 5-Methyl-2-hydroxybenzophenone Synonym
- 2-Benzoyl-4-methylphenol Synonym
- NSC 296 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.24800000000002 g/mol | RDKit | |
| 212.248 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 |
| 2.9316 | RDKit | |
| Molar Refractivity | 62.718300000000035 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 212.083729624 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.
External Resources
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MW = 212.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12O2.
