4-[(3S)-8,8-Dimethyl-3,4-Dihydro-2H-Pyrano[2,3-F]Chromen-3-Yl]Benzene-1,3-Diol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1360535 | |
| PubChem: | 44144325 | |
| IUPAC: | 4-[(3S)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m1/s1 | |
| Standard InChI Key: | LBQIJVLKGVZRIW-CYBMUJFWSA-N | |
| SMILES: | Oc1ccc(c(c1)O)[C@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C | |
Molecular propeties
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| AlogP: | 4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 4 | |
| Molecular Weight: | 324.14 | |
| Topological polar surface area: | 58.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |