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2,5-Dimethylbenzophenone
CAS: 4044-60-4 | C15H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4044-60-4
Molecular Formula:
C15H14O
Molecular Mass:
210.28 g/mol
Names and Synonyms:
2,5-Dimethylbenzophenone
Methanone, (2,5-dimethylphenyl)phenyl-
Benzophenone, 2,5-dimethyl-
(2,5-Dimethylphenyl)phenylmethanone
2,5-Dimethylbenzophenone
2,5-Dimethylphenyl phenyl ketone
NSC 82305
2-Benzoyl-1,4-dimethylbenzene
Identifiers:
SMILES:
Cc1ccc(C)c(C(=O)c2ccccc2)c1
InChI:
InChI=1S/C15H14O/c1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
Key Properties
Boiling Point
255-258 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
138.5 °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 |
| 210.27600000000004 g/mol | RDKit | |
| 210.104465068 g/mol | RDKit | |
| Boiling Point | 255-258 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC(=CC=C2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O/c1-11-8-9-12(2)14(10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PJCBRWRFLHBSNH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138.5 °C | CAS Common Chemistry |
| Name | 2,5-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 |
