[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetic acid
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)phenoxy]acetic acid
[4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | 8008-6837 |
| Compound Name: | [4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenoxy]acetic acid |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C25 H28 O6 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(cc2)OCC(O)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3733 |
| logD: | -0.8637 |
| logSw: | -3.2885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.28 |
| InChI Key: | QQWDJRVJXPOQNK-UHFFFAOYSA-N |