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2-Hydroxychalcone
CAS: 644-78-0 | C15H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
644-78-0
Molecular Formula:
C15H12O2
Molecular Mass:
224.26 g/mol
Names and Synonyms:
2-Hydroxychalcone
2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl-
Chalcone, 2-hydroxy-
3-(2-Hydroxyphenyl)-1-phenyl-2-propen-1-one
2-Hydroxychalcone
3-(o-Hydroxyphenyl)acrylophenone
o-Hydroxystyryl phenyl ketone
1-Phenyl-3-(2-hydroxyphenyl)-2-propenone
Salicylideneacetophenone
NSC 37432
NSC 640539
3-(2-Hydroxyphenyl)-1-phenylpropenone
Identifiers:
SMILES:
O=C(C=Cc1ccccc1O)c1ccccc1
InChI:
InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H
Key Properties
Melting Point
153-154 °C
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=CC1O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H | CAS Common Chemistry |
| InChI Key | InChIKey=UDOOPSJCRMKSGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153-154 °C | CAS Common Chemistry |
| Name | 2-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 | 67.91330000000004 | RDKit |
