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Molecule
4,4′-Dimethoxybenzophenone
CAS: 90-96-0 · C15H14O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90-96-0
- Molecular Formula
- C15H14O3
- Molecular Mass
- 242.27 g/mol
Identifiers
CAS Registry Number
90-96-0
SMILES
COc1ccc(C(=O)c2ccc(OC)cc2)cc1
InChI Key
RFVHVYKVRGKLNK-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Dimethoxybenzophenone Synonym
- Methanone, bis(4-methoxyphenyl)- Synonym
- Benzophenone, 4,4′-dimethoxy- Synonym
- Bis(4-methoxyphenyl)methanone Synonym
- 4,4′-Dimethoxybenzophenone Synonym
- p,p′-Dimethoxybenzophenone Synonym
- Bis(p-methoxy)benzophenone Synonym
- Di-p-anisyl ketone Synonym
- Bis(4-anisyl) ketone Synonym
- Bis(p-methoxyphenyl) ketone Synonym
- DMBP Synonym
- Bis(p-anisyl) ketone Synonym
- Di(4-methoxyphenyl) ketone Synonym
- 4,4′-Bis(methoxy)benzophenone Synonym
- Bis(4-methoxyphenyl) ketone Synonym
- NSC 4191 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 | |
| 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 |
| 2.9348 | RDKit | |
| Molar Refractivity | 69.42050000000003 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 |
| Boiling Point | 180-240 °C @ 13 Torr | CAS Common Chemistry |
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.
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MW = 242.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H14O3.
