4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid
4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-0229 |
| Compound Name: | 4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C21 H18 O5 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1cc(ccc12)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5016 |
| logD: | 1.5301 |
| logSw: | -4.469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.716 |
| InChI Key: | SEQSAFGFIWCZNA-UHFFFAOYSA-N |