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 butanoate
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 butanoate
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 butanoate
Compound characteristics
| Compound ID: | 8014-5368 |
| 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 butanoate |
| Molecular Weight: | 466.57 |
| Molecular Formula: | C28 H34 O6 |
| Smiles: | CCCC(=O)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7032 |
| logD: | 4.7032 |
| logSw: | -4.6965 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.169 |
| InChI Key: | BJDMHGSDASKMID-UHFFFAOYSA-N |