9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Chemical Structure Depiction of
9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Compound characteristics
| Compound ID: | 8012-4819 |
| Compound Name: | 9-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione |
| Molecular Weight: | 433.3 |
| Molecular Formula: | C21 H21 Br O5 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C2=C(CCCC2=O)OC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5995 |
| logD: | 3.5955 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.087 |
| InChI Key: | DRNDYUYDKDCSTN-UHFFFAOYSA-N |