Back to Search
Ipriflavone
CAS: 35212-22-7 | C18H16O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
35212-22-7
Molecular Formula:
C18H16O3
Molecular Mass:
280.32 g/mol
Names and Synonyms:
Ipriflavone
4H-1-Benzopyran-4-one, 7-(1-methylethoxy)-3-phenyl-
7-(1-Methylethoxy)-3-phenyl-4H-1-benzopyran-4-one
7-Isopropoxyisoflavone
Ipriflavone
FL 113
7-Isopropoxy-3-phenyl-4H-1-benzopyran-4-one
TC 80
Osteofix
Osteofix (pharmaceutical)
Osten
Yambolap
Iprosten
TC 80 (pharmaceutical)
Iprivone
3-Phenyl-7-propan-2-yloxychromen-4-one
Identifiers:
SMILES:
CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
InChI:
InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
Key Properties
Melting Point
115-117 °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 | 280.32 g/mol | CAS Common Chemistry |
| 280.32300000000004 g/mol | RDKit | |
| 280.109944372 g/mol | RDKit | |
| Canonical SMILES | O=C1C(=COC2=CC(OC(C)C)=CC=C21)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SFBODOKJTYAUCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115-117 °C | CAS Common Chemistry |
| Name | Ipriflavone | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 39.44 Ų | RDKit |
| LogP | 4.247200000000003 | RDKit |
| Molar Refractivity | 83.68400000000004 | RDKit |
