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Cardamomin
CAS: 19309-14-9 | C16H14O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19309-14-9
Molecular Formula:
C16H14O4
Molecular Mass:
270.28 g/mol
Names and Synonyms:
Cardamomin
2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-
Chalcone, 2′,4′-dihydroxy-6′-methoxy-
2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (E)-
(2E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one
Cardamonin
Alpinetin chalcone
Cardamomin
Identifiers:
SMILES:
COc1cc(O)cc(O)c1C(=O)/C=C/c1ccccc1
InChI:
InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
Key Properties
Melting Point
203-205 °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 | 270.28 g/mol | CAS Common Chemistry |
| 270.284 g/mol | RDKit | |
| 270.089208928 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cardamomin | CAS Common Chemistry |
| Canonical SMILES | O=C(C=CC=1C=CC=CC1)C=2C(O)=CC(O)=CC2OC | CAS Common Chemistry |
| InChI | InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ | CAS Common Chemistry |
| InChI Key | InChIKey=NYSZJNUIVUBQMM-BQYQJAHWSA-N | CAS Common Chemistry |
| Melting Point | 203-205 °C | CAS Common Chemistry |
| Name | Cardamonin | CAS Common Chemistry |
| Cardamomin | CAS Common Chemistry | |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.75999999999999 Ų | RDKit |
| LogP | 3.0025000000000013 | RDKit |
| Molar Refractivity | 76.13010000000001 | RDKit |
