4-(6-hydroxy-5-methyl-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)-2-methylbenzene-1,3-diol
Chemical Structure Depiction of
4-(6-hydroxy-5-methyl-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)-2-methylbenzene-1,3-diol
4-(6-hydroxy-5-methyl-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)-2-methylbenzene-1,3-diol
Compound characteristics
| Compound ID: | 8014-9567 |
| Compound Name: | 4-(6-hydroxy-5-methyl-1,2,3,9a-tetrahydro-3aH-spiro[benzo[b]cyclopenta[e]pyran-9,1'-cyclopentan]-3a-yl)-2-methylbenzene-1,3-diol |
| Molecular Weight: | 380.48 |
| Molecular Formula: | C24 H28 O4 |
| Smiles: | Cc1c(ccc(c1O)C12CCCC1C1(CCCC1)c1ccc(c(C)c1O2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.135 |
| logD: | 5.1348 |
| logSw: | -4.9174 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.442 |
| InChI Key: | QYRVEVBLKHVGPQ-UHFFFAOYSA-N |