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
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
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: | 5547-0180 |
| Compound Name: | 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: | 488.56 |
| Molecular Formula: | C30 H29 F O5 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(cc2)OC(c2ccc(cc2)F)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2121 |
| logD: | 5.2121 |
| logSw: | -5.3127 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.775 |
| InChI Key: | WMGYJTIFRWSGTM-UHFFFAOYSA-N |