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2′-Hydroxyflavanone
CAS: 17348-76-4 | C15H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17348-76-4
Molecular Formula:
C15H12O3
Molecular Mass:
240.26 g/mol
Names and Synonyms:
2′-Hydroxyflavanone
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(2-hydroxyphenyl)-
Flavanone, 2′-hydroxy-
2,3-Dihydro-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one
(±)-2′-Hydroxyflavanone
2′-Hydroxyflavanone
2-(2-Hydroxyphenyl)chroman-4-one
2-(2-Hydroxyphenyl)-2,3-dihydrochromen-4-one
2-(2-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Identifiers:
SMILES:
O=C1CC(c2ccccc2O)Oc2ccccc21
InChI:
InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
Key Properties
Melting Point
170 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
4
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.25799999999998 g/mol | RDKit | |
| 240.078644244 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2OC(C=3C=CC=CC3O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KZKWCKFDCPVDFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2′-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 |
| Molar Refractivity | 66.86530000000003 | RDKit |
