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Molecule
4′-Hydroxychalcone
CAS: 2657-25-2 · C15H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2657-25-2
- Molecular Formula
- C15H12O2
- Molecular Mass
- 224.26 g/mol
Identifiers
CAS Registry Number
2657-25-2
SMILES
O=C(C=Cc1ccccc1)c1ccc(O)cc1
InChI Key
UAHGNXFYLAJDIN-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H
Names and Synonyms
- 4′-Hydroxychalcone Synonym
- 2-Propen-1-one, 1-(4-hydroxyphenyl)-3-phenyl- Synonym
- Chalcone, 4′-hydroxy- Synonym
- 1-(4-Hydroxyphenyl)-3-phenyl-2-propen-1-one Synonym
- 4′-Hydroxychalcone Synonym
- p-Cinnamoylphenol Synonym
- 4-Hydroxyphenyl styryl ketone Synonym
- NSC 242264 Synonym
- 1-(4-Hydroxyphenyl)-3-phenylpropenone 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 | |
| Canonical SMILES | O=C(C=CC=1C=CC=CC1)C2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H | CAS Common Chemistry |
| InChI Key | InChIKey=UAHGNXFYLAJDIN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171-172 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 4′-Hydroxychalcone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.2883000000000013 | RDKit |
| 3.2883 | RDKit | |
| Molar Refractivity | 67.91330000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| 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.
