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Molecule
(±)-Flavanone
CAS: 487-26-3 · C15H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 487-26-3
- Molecular Formula
- C15H12O2
- Molecular Mass
- 224.26 g/mol
Identifiers
CAS Registry Number
487-26-3
SMILES
O=C1CC(c2ccccc2)Oc2ccccc21
InChI Key
ZONYXWQDUYMKFB-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
Names and Synonyms
- (±)-Flavanone Synonym
- 4H-1-Benzopyran-4-one, 2,3-dihydro-2-phenyl- Synonym
- Flavanone Synonym
- 2,3-Dihydro-2-phenyl-4H-1-benzopyran-4-one Synonym
- 2-Phenyl-4-chromanone Synonym
- 4-Flavanone Synonym
- (±)-Flavanone Synonym
- dl-Flavanone Synonym
- NSC 50393 Synonym
- 2-Phenyl-3,4-dihydro-2H-benzopyran-4-one Synonym
- 2-Phenyl-3,4-dihydrobenzopyran-4-one Synonym
- 2-Phenyldihydrobenzopyran-4-one Synonym
- 2-Phenyl-3,4-dihydro-2H-1-benzopyran-4-one Synonym
- 2-Phenyl-2,3-dihydrochromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.26 g/mol | CAS Common Chemistry |
| 224.259 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.90 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1C=2C=CC=CC2OC(C=3C=CC=CC3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZONYXWQDUYMKFB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 77 °C | CAS Common Chemistry |
| Name | (±)-Flavanone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.3931000000000022 | RDKit |
| 3.3931 | RDKit | |
| Molar Refractivity | 65.20050000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | 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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| 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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Quick conversion
MW = 224.26 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O2.
