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2-Methoxybenzophenone
CAS: 2553-04-0 | C14H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2553-04-0
- Molecular Formula
- C14H12O2
- Molecular Mass
- 212.25 g/mol
Identifiers
CAS Registry Number
2553-04-0
SMILES
COc1ccccc1C(=O)c1ccccc1
InChI Key
CSUUDNFYSFENAE-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3
Names and Synonyms
- 2-Methoxybenzophenone Synonym
- Methanone, (2-methoxyphenyl)phenyl- Synonym
- Benzophenone, 2-methoxy- Synonym
- Benzophenone, o-methoxy- Synonym
- (2-Methoxyphenyl)phenylmethanone Synonym
- 2-Methoxybenzophenone Synonym
- o-Methoxybenzophenone Synonym
- (2-Methoxyphenyl)phenyl methanone Synonym
- 2-Benzoylanisole Synonym
- NSC 408008 Synonym
- Phenyl 2-methoxyphenyl ketone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.248 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC=CC2OC | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CSUUDNFYSFENAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 41 °C | CAS Common Chemistry |
| Name | 2-Methoxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.9262000000000015 | RDKit |
| 2.9262 | RDKit | |
| Molar Refractivity | 62.86850000000003 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 |
| Boiling Point | 210 °C @ 27 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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
Related
Related molecules
Other compounds with formula C14H12O2.
