4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methoxybenzoate
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 2-methoxybenzoate
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methoxybenzoate
Compound characteristics
| Compound ID: | 5547-0213 |
| 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 2-methoxybenzoate |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C31 H32 O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(cc2)OC(c2ccccc2OC)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2432 |
| logD: | 5.2432 |
| logSw: | -5.3376 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.406 |
| InChI Key: | GCVIHAUBOJRGBE-UHFFFAOYSA-N |