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Mexenone
CAS: 1641-17-4 | C15H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1641-17-4
Molecular Formula:
C15H14O3
Molecular Mass:
242.27 g/mol
Names and Synonyms:
Mexenone
Methanone, (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)-
Benzophenone, 2-hydroxy-4-methoxy-4′-methyl-
(2-Hydroxy-4-methoxyphenyl)(4-methylphenyl)methanone
2-Hydroxy-4-methoxy-4′-methylbenzophenone
Mexenone
Benzophenone 10
Mexenon
Uvistat 2211
Uvistat
(2-Hydroxy-4-methoxyphenyl)(p-tolyl)methanone
Identifiers:
SMILES:
COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1
InChI:
InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3
Key Properties
Melting Point
95 °C @ Solvent: Benzene
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 | 242.27 g/mol | CAS Common Chemistry |
| 242.274 g/mol | RDKit | |
| 242.094294308 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Mexenone | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(C=C1)C)C2=CC=C(OC)C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MJVGBKJNTFCUJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2-Hydroxy-4-methoxy-4′-methylbenzophenone | CAS Common Chemistry |
| Mexenone | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.940220000000001 | RDKit |
| Molar Refractivity | 69.27030000000002 | RDKit |
