Back to Search
4,4′-Dimethylbenzophenone
CAS: 611-97-2 | C15H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
611-97-2
Molecular Formula:
C15H14O
Molecular Mass:
210.28 g/mol
Names and Synonyms:
4,4′-Dimethylbenzophenone
Methanone, bis(4-methylphenyl)-
Benzophenone, 4,4′-dimethyl-
Bis(4-methylphenyl)methanone
Di-p-tolyl ketone
4,4′-Dimethylbenzophenone
p,p′-Dimethylbenzophenone
4,4′-Carbonylbis[toluene]
Bis-p-tolyl ketone
Di-p-tolylmethanone
Di(4-methylphenyl) ketone
Bis(4-methylphenyl) ketone
Bis(4-tolyl)methanone
NSC 1807
NSC 37137
Identifiers:
SMILES:
Cc1ccc(C(=O)c2ccc(C)cc2)cc1
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
Key Properties
Boiling Point
334 °C
CAS Common Chemistry
Melting Point
96.5 °C
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 | 210.28 g/mol | CAS Common Chemistry |
| 210.276 g/mol | RDKit | |
| 210.104465068 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 |
| Molar Refractivity | 65.79050000000004 | RDKit |
