Back to Search
Ly294002
CAS: 154447-36-6 | C19H17NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
154447-36-6
Molecular Formula:
C19H17NO3
Molecular Mass:
307.35 g/mol
Names and Synonyms:
Ly294002
4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
LY 294002
8-Phenyl-2-(morpholin-4-yl)-chromen-4-one
NSC 697286
SF 1101
2-Morpholin-4-yl-8-phenylchromen-4-one
2-Morpholino-8-phenyl-4H-chromen-4-one
Identifiers:
SMILES:
O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12
InChI:
InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
Key Properties
Melting Point
184 °C @ Solvent: Ethyl acetate
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 | 307.35 g/mol | CAS Common Chemistry |
| 307.34900000000005 g/mol | RDKit | |
| 307.120843404 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/LY294002 | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C(OC=2C1=CC=CC2C=3C=CC=CC3)N4CCOCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CZQHHVNHHHRRDU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184 °C @ Solvent: Ethyl acetate | CAS Common Chemistry |
| Name | 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one | CAS Common Chemistry |
| LY294002 | CAS Common Chemistry | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 42.68000000000001 Ų | RDKit |
| LogP | 3.2966000000000024 | RDKit |
| Molar Refractivity | 90.95200000000003 | RDKit |
