3-methyl-4-(propan-2-yl)phenyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
3-methyl-4-(propan-2-yl)phenyl 3-methyl-4-nitrobenzoate
3-methyl-4-(propan-2-yl)phenyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | 2216-0066 |
| Compound Name: | 3-methyl-4-(propan-2-yl)phenyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | CC(C)c1ccc(cc1C)OC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1281 |
| logD: | 5.1281 |
| logSw: | -5.1421 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.697 |
| InChI Key: | DGQDFYSGHAKNLG-UHFFFAOYSA-N |