3,3,6,6-tetramethyl-9-[4-(phenylethynyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
3,3,6,6-tetramethyl-9-[4-(phenylethynyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-tetramethyl-9-[4-(phenylethynyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8009-2003 |
| Compound Name: | 3,3,6,6-tetramethyl-9-[4-(phenylethynyl)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C31 H30 O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(C#Cc3ccccc3)cc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5953 |
| logD: | 6.5953 |
| logSw: | -6.0031 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.126 |
| InChI Key: | VTQZWKMOLSNBDZ-UHFFFAOYSA-N |