4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}benzoic acid
4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y040-0779 |
| Compound Name: | 4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}benzoic acid |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C22 H20 O5 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2225 |
| logD: | 2.251 |
| logSw: | -5.0624 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.803 |
| InChI Key: | DIQWHKHXYFHASL-UHFFFAOYSA-N |