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Molecule
4,4′-Dimethylbenzophenone
CAS: 611-97-2 · C15H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 611-97-2
- Molecular Formula
- C15H14O
- Molecular Mass
- 210.28 g/mol
Identifiers
CAS Registry Number
611-97-2
SMILES
Cc1ccc(C(=O)c2ccc(C)cc2)cc1
InChI Key
ZWPWLKXZYNXATK-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Names and Synonyms
- 4,4′-Dimethylbenzophenone Systematic Name
- Methanone, bis(4-methylphenyl)- Synonym
- Benzophenone, 4,4′-dimethyl- Synonym
- Bis(4-methylphenyl)methanone Synonym
- Di-p-tolyl ketone Synonym
- 4,4′-Dimethylbenzophenone Synonym
- p,p′-Dimethylbenzophenone Synonym
- 4,4′-Carbonylbis[toluene] Synonym
- Bis-p-tolyl ketone Synonym
- Di-p-tolylmethanone Synonym
- Di(4-methylphenyl) ketone Synonym
- Bis(4-methylphenyl) ketone Synonym
- Bis(4-tolyl)methanone Synonym
- NSC 1807 Synonym
- NSC 37137 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.28 g/mol | CAS Common Chemistry |
| 210.276 g/mol | RDKit | |
| Boiling Point | 334 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWPWLKXZYNXATK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96.5 °C | CAS Common Chemistry |
| Name | 4,4′-Dimethylbenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.534440000000002 | RDKit |
| 3.5344 | RDKit | |
| Molar Refractivity | 65.79050000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 210.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 210.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O.
