[5-bromo-2-methoxy-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
[5-bromo-2-methoxy-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
[5-bromo-2-methoxy-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: | 8008-5483 |
| Compound Name: | [5-bromo-2-methoxy-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: | 533.42 |
| Molecular Formula: | C26 H29 Br O7 |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2cc(c(cc2[Br])OCC(O)=O)OC)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5381 |
| logD: | -0.6988 |
| logSw: | -3.6282 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.997 |
| InChI Key: | MXGNOAIBOZPUQX-UHFFFAOYSA-N |