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Molecule
Dibenzoylmethane
CAS: 120-46-7 · C15H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 120-46-7
- Molecular Formula
- C15H12O2
- Molecular Mass
- 224.26 g/mol
Identifiers
CAS Registry Number
120-46-7
SMILES
O=C(CC(=O)c1ccccc1)c1ccccc1
InChI Key
NZZIMKJIVMHWJC-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
Names and Synonyms
- Dibenzoylmethane Common Name
- 1,3-Propanedione, 1,3-diphenyl- Synonym
- 1,3-Diphenyl-1,3-propanedione Synonym
- ω-Benzoylacetophenone Synonym
- Phenyl phenacyl ketone Synonym
- Dibenzoylmethane Synonym
- 2-Benzoylacetophenone Synonym
- Karenz DK 2 Synonym
- Rhodiastab 83 Synonym
- NSC 406806 Synonym
- NSC 52984 Synonym
- NSC 6266 Synonym
- DBM Synonym
- AD 158 Synonym
- 1,3-Diphenylpropan-1,3-dione Synonym
- Rhodiastab 83P Synonym
- DBM 83 Synonym
- PB 201 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.26 g/mol | CAS Common Chemistry |
| 224.25900000000001 g/mol | RDKit | |
| 224.259 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibenzoylmethane | CAS Common Chemistry |
| Boiling Point | 219-221 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)CC(=O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NZZIMKJIVMHWJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5 °C | CAS Common Chemistry |
| Name | Dibenzoylmethane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 3.1423000000000014 | RDKit |
| 3.1423 | RDKit | |
| Molar Refractivity | 66.16200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 224.083729624 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 = 224.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O2.
