4-[(2R)-2-Hydroxy-3-Methylbut-3-Enoxy]Furo[3,2-G]Chromen-7-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1870203 | |
| PubChem: | 44144315 | |
| IUPAC: | 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one | |
| Standard InChI: | InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3/t12-/m0/s1 | |
| Standard InChI Key: | BVMOMQJYQYBMKL-LBPRGKRZSA-N | |
| SMILES: | O=c1ccc2c(o1)cc1c(c2OC[C@@H](C(=C)C)O)cco1 | |
Molecular propeties
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| AlogP: | 2.86 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.08 | |
| Topological polar surface area: | 68.9 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |