methyl 4-{[(2-hexyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(2-hexyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoate
methyl 4-{[(2-hexyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | Y040-6939 |
| Compound Name: | methyl 4-{[(2-hexyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzoate |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C28 H28 O5 |
| Smiles: | CCCCCCc1cc2c3ccccc3C(=O)Oc2cc1OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 7.3521 |
| logD: | 7.3521 |
| logSw: | -5.9002 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.377 |
| InChI Key: | OXLJSQDYGFUQLV-UHFFFAOYSA-N |