4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoic acid
4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-0227 |
| Compound Name: | 4-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C21 H18 O5 |
| Smiles: | Cc1c(ccc2C3CCCC=3C(=O)Oc12)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2366 |
| logD: | 1.2651 |
| logSw: | -4.3933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.853 |
| InChI Key: | ZBJPWHWAPHBXPX-UHFFFAOYSA-N |