4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzoate
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-methylbenzoate
4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 5547-0166 |
| 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-methylbenzoate |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C31 H32 O5 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2CC(C)(C)CC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6065 |
| logD: | 5.6065 |
| logSw: | -5.6683 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.775 |
| InChI Key: | IPNVYYONDPPYGS-UHFFFAOYSA-N |