4-[(2R,3S)-3-(hydroxymethyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
PubChem CID: 137651800
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4074989 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 4-[(2R,3S)-3-(hydroxymethyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C18H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DFLXMFQVYNRTNJ-XIKOKIGWSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.47 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.523 |
| Compound Name | 4-[(2R,3S)-3-(hydroxymethyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2761824000000006 |
| Inchi | InChI=1S/C18H20O6/c1-21-15-6-10(4-5-13(15)20)18-12(9-19)11-7-16(22-2)17(23-3)8-14(11)24-18/h4-8,12,18-20H,9H2,1-3H3/t12-,18+/m1/s1 |
| Smiles | COC1=C(C=CC(=C1)[C@H]2[C@@H](C3=CC(=C(C=C3O2)OC)OC)CO)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients