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 propanoate
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 propanoate
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 propanoate
Compound characteristics
| Compound ID: | 8013-1719 |
| 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 propanoate |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C27 H32 O6 |
| Smiles: | CCC(=O)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1858 |
| logD: | 4.1858 |
| logSw: | -4.5543 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.169 |
| InChI Key: | NYVRKRFSIBGNHU-UHFFFAOYSA-N |