2-(2,4-Dihydroxyphenyl)-6-hydroxy-1-benzofuran-3-carbaldehyde
PubChem CID: 118737403
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| Compound Synonyms | CHEMBL3426811 |
|---|---|
| Topological Polar Surface Area | 90.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-6-hydroxy-1-benzofuran-3-carbaldehyde |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | False |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DRSUNEPOPSULKX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 2-(2,4-Dihydroxyphenyl)-6-hydroxy-1-benzofuran-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.437888 |
| Inchi | InChI=1S/C15H10O5/c16-7-12-10-3-1-9(18)6-14(10)20-15(12)11-4-2-8(17)5-13(11)19/h1-7,17-19H |
| Smiles | C1=CC(=C(C=C1O)O)C2=C(C3=C(O2)C=C(C=C3)O)C=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients