2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-fluorobenzoate
Chemical Structure Depiction of
2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-fluorobenzoate
2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 5547-0181 |
| Compound Name: | 2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-fluorobenzoate |
| Molecular Weight: | 518.58 |
| Molecular Formula: | C31 H31 F O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)OC)OC(c2ccc(cc2)F)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2298 |
| logD: | 5.2298 |
| logSw: | -5.2308 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.492 |
| InChI Key: | WCHZRMUEPADYLN-UHFFFAOYSA-N |