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Molecule
7-Hydroxyflavanone
CAS: 6515-36-2 · C15H12O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6515-36-2
- Molecular Formula
- C15H12O3
- Molecular Mass
- 240.26 g/mol
Identifiers
CAS Registry Number
6515-36-2
SMILES
O=C1CC(c2ccccc2)Oc2cc(O)ccc21
InChI Key
SWAJPHCXKPCPQZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
Names and Synonyms
- 7-Hydroxyflavanone Synonym
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl- Synonym
- Flavanone, 7-hydroxy- Synonym
- 2,3-Dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one Synonym
- 7-Hydroxyflavanone Synonym
- 7-Hydroxy-2-phenylchroman-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.25799999999998 g/mol | RDKit | |
| 240.258 g/mol | RDKit | |
| Canonical SMILES | O=C1C2=CC=C(O)C=C2OC(C=3C=CC=CC3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SWAJPHCXKPCPQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189 °C | CAS Common Chemistry |
| Name | 7-Hydroxyflavanone | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.098700000000002 | RDKit |
| 3.0987 | RDKit | |
| Molar Refractivity | 66.86530000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 240.078644244 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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MW = 240.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O3.
