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Molecule
4′-Hydroxyflavanone
CAS: 6515-37-3 · C15H12O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6515-37-3
- Molecular Formula
- C15H12O3
- Molecular Mass
- 240.26 g/mol
Identifiers
CAS Registry Number
6515-37-3
SMILES
O=C1CC(c2ccc(O)cc2)Oc2ccccc21
InChI Key
ZLHVIYHWWQYJID-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2
Names and Synonyms
- 4′-Hydroxyflavanone Synonym
- 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)- Synonym
- Flavanone, 4′-hydroxy- Synonym
- 2,3-Dihydro-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Synonym
- 4′-Hydroxyflavanone Synonym
- (±)-4′-Hydroxyflavanone Synonym
- STX 310 Synonym
- 2-(4-Hydroxyphenyl)chroman-4-one Synonym
- 2-(4-Hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one Synonym
- 2-(4-Hydroxyphenyl)-2,3-dihydrochromen-4-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.258 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2OC(C3=CC=C(O)C=C3)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZLHVIYHWWQYJID-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 4′-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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1
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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.
