5-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid
5-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | 4986-0947 |
| Compound Name: | 5-{[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C27 H26 O6 |
| Smiles: | CCCCCCc1cc2C(=CC(=O)Oc2cc1OCc1ccc(C(O)=O)o1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3169 |
| logD: | 2.3329 |
| logSw: | -5.2284 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.938 |
| InChI Key: | GGELPBZBQNHTLN-UHFFFAOYSA-N |