2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoic acid
Chemical Structure Depiction of
2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoic acid
2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoic acid
Compound characteristics
Compound ID: | 8006-1644 |
Compound Name: | 2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)benzoic acid |
Molecular Weight: | 394.47 |
Molecular Formula: | C24 H26 O5 |
Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccccc2C(O)=O)C(C1)=O |
Stereo: | ACHIRAL |
logP: | 3.9565 |
logD: | -0.665 |
logSw: | -4.1039 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.806 |
InChI Key: | NQLIEPMKKORARM-UHFFFAOYSA-N |