2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-carbaldehyde
PubChem CID: 5319354
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| Topological Polar Surface Area | 68.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZMPSIUWTYKKET-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -1.987 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.059 |
| Compound Name | 2-(2-Hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8451682545454546 |
| Inchi | InChI=1S/C17H14O5/c1-20-10-4-6-13(15(19)7-10)17-14(9-18)12-5-3-11(21-2)8-16(12)22-17/h3-9,19H,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)C2=C(C3=C(O2)C=C(C=C3)OC)C=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melilotus Messanensis (Plant) Rel Props:Source_db:cmaup_ingredients