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4,4′-Dimethoxybenzophenone
CAS: 90-96-0 | C15H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-96-0
Molecular Formula:
C15H14O3
Molecular Mass:
242.27 g/mol
Names and Synonyms:
4,4′-Dimethoxybenzophenone
Methanone, bis(4-methoxyphenyl)-
Benzophenone, 4,4′-dimethoxy-
Bis(4-methoxyphenyl)methanone
4,4′-Dimethoxybenzophenone
p,p′-Dimethoxybenzophenone
Bis(p-methoxy)benzophenone
Di-p-anisyl ketone
Bis(4-anisyl) ketone
Bis(p-methoxyphenyl) ketone
DMBP
Bis(p-anisyl) ketone
Di(4-methoxyphenyl) ketone
4,4′-Bis(methoxy)benzophenone
Bis(4-methoxyphenyl) ketone
NSC 4191
Identifiers:
SMILES:
COc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChI:
InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
Key Properties
Boiling Point
180-240 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
144 °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 | 242.27 g/mol | CAS Common Chemistry |
| 242.274 g/mol | RDKit | |
| 242.094294308 g/mol | RDKit | |
| Boiling Point | 180-240 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RFVHVYKVRGKLNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | 4,4′-Dimethoxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.934800000000001 | RDKit |
| Molar Refractivity | 69.42050000000003 | RDKit |
