4,7-dimethyl-5-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4,7-dimethyl-5-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
4,7-dimethyl-5-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-1767 |
| Compound Name: | 4,7-dimethyl-5-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C18 H15 N O5 |
| Smiles: | CC1=CC(=O)Oc2cc(C)cc(c12)OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1043 |
| logD: | 4.1043 |
| logSw: | -4.6935 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.341 |
| InChI Key: | VTKYSQSFXCHAAJ-UHFFFAOYSA-N |