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Molecule
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
Identifiers
CAS Registry Number
1641-17-4
SMILES
COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1
InChI Key
MJVGBKJNTFCUJM-UHFFFAOYSA-N
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
Names and Synonyms
- Mexenone Common Name
- Methanone, (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)- Synonym
- Benzophenone, 2-hydroxy-4-methoxy-4′-methyl- Synonym
- (2-Hydroxy-4-methoxyphenyl)(4-methylphenyl)methanone Synonym
- 2-Hydroxy-4-methoxy-4′-methylbenzophenone Synonym
- Mexenone Synonym
- Benzophenone 10 Synonym
- Mexenon Synonym
- Uvistat 2211 Synonym
- Uvistat Synonym
- (2-Hydroxy-4-methoxyphenyl)(p-tolyl)methanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.27 g/mol | CAS Common Chemistry |
| 242.274 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 |
| 2.9402 | RDKit | |
| Molar Refractivity | 69.27030000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 242.094294308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 242.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O3.
