2-(3,5-Dihydroxyphenyl)-6,7-benzofurandiol
PubChem CID: 118735933
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| Compound Synonyms | CHEMBL3422849, 2-(3,5-Dihydroxyphenyl)-6,7-benzofurandiol, 1176886-48-8, DTXSID501265799, BDBM50083071 |
|---|---|
| Topological Polar Surface Area | 94.1 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,5-dihydroxyphenyl)-1-benzofuran-6,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C14H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOEMDQMSOKXQNY-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.328 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.774 |
| Compound Name | 2-(3,5-Dihydroxyphenyl)-6,7-benzofurandiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 258.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5783303263157897 |
| Inchi | InChI=1S/C14H10O5/c15-9-3-8(4-10(16)6-9)12-5-7-1-2-11(17)13(18)14(7)19-12/h1-6,15-18H |
| Smiles | C1=CC(=C(C2=C1C=C(O2)C3=CC(=CC(=C3)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients