6-Hydroxy-2-(5-hydroxy-2,2-dimethylchromen-6-yl)-1-benzofuran-3-carbaldehyde
PubChem CID: 132504091
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| Compound Synonyms | CHEMBL4090247 |
|---|---|
| Topological Polar Surface Area | 79.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 544.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-(5-hydroxy-2,2-dimethylchromen-6-yl)-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KYFLRKDPPWJMJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.696 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.835 |
| Compound Name | 6-Hydroxy-2-(5-hydroxy-2,2-dimethylchromen-6-yl)-1-benzofuran-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.543126600000001 |
| Inchi | InChI=1S/C20H16O5/c1-20(2)8-7-13-16(25-20)6-5-14(18(13)23)19-15(10-21)12-4-3-11(22)9-17(12)24-19/h3-10,22-23H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2O)C3=C(C4=C(O3)C=C(C=C4)O)C=O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients