4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl benzoate
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | 8014-3486 |
| Compound Name: | 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl benzoate |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C27 H24 O6 |
| Smiles: | COc1cc(ccc1OC(c1ccccc1)=O)C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8955 |
| logD: | 3.8955 |
| logSw: | -4.2852 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.492 |
| InChI Key: | GPCYVEKQDADILZ-UHFFFAOYSA-N |