4-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid
4-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | D715-0311 |
| Compound Name: | 4-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C22 H20 O5 |
| Smiles: | Cc1c(ccc2C3CCCCC=3C(=O)Oc12)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0339 |
| logD: | 2.0624 |
| logSw: | -4.5736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | TVLAHHWDBGYVKF-UHFFFAOYSA-N |