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4′-Hydroxychalcone
CAS: 2657-25-2 | C15H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2657-25-2
Molecular Formula:
C15H12O2
Molecular Mass:
224.26 g/mol
Names and Synonyms:
4′-Hydroxychalcone
2-Propen-1-one, 1-(4-hydroxyphenyl)-3-phenyl-
Chalcone, 4′-hydroxy-
1-(4-Hydroxyphenyl)-3-phenyl-2-propen-1-one
4′-Hydroxychalcone
p-Cinnamoylphenol
4-Hydroxyphenyl styryl ketone
NSC 242264
1-(4-Hydroxyphenyl)-3-phenylpropenone
Identifiers:
SMILES:
O=C(C=Cc1ccccc1)c1ccc(O)cc1
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
Key Properties
Melting Point
171-172 °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
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 224.26 g/mol | CAS Common Chemistry |
| 224.25900000000001 g/mol | RDKit | |
| 224.083729624 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 |
| Molar Refractivity | 67.91330000000002 | RDKit |
