5-methyl-4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-methyl-4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid
5-methyl-4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | D715-0038 |
| Compound Name: | 5-methyl-4-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 368.38 |
| Molecular Formula: | C21 H20 O6 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCc1cc(C(O)=O)oc1C |
| Stereo: | ACHIRAL |
| logP: | 4.055 |
| logD: | 0.7647 |
| logSw: | -4.1161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.129 |
| InChI Key: | VBNNMGWQAMSGJG-UHFFFAOYSA-N |