5-methyl-4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-methyl-4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}furan-2-carboxylic acid
5-methyl-4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | 4986-1271 |
| Compound Name: | 5-methyl-4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C20 H18 O6 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OCc1cc(C(O)=O)oc1C |
| Stereo: | ACHIRAL |
| logP: | 3.0691 |
| logD: | -0.2212 |
| logSw: | -3.1421 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.179 |
| InChI Key: | JDVGXAWXFUODNG-UHFFFAOYSA-N |