4-[5-[(E)-3-hydroxyprop-1-enyl]-1-benzofuran-2-yl]-3-methoxyphenol
PubChem CID: 14704570
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| Compound Synonyms | SCHEMBL15259382 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[5-[(E)-3-hydroxyprop-1-enyl]-1-benzofuran-2-yl]-3-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULJHNHGYZYFAIG-NSCUHMNNSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -1.848 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.725 |
| Compound Name | 4-[5-[(E)-3-hydroxyprop-1-enyl]-1-benzofuran-2-yl]-3-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.034541854545455 |
| Inchi | InChI=1S/C18H16O4/c1-21-17-11-14(20)5-6-15(17)18-10-13-9-12(3-2-8-19)4-7-16(13)22-18/h2-7,9-11,19-20H,8H2,1H3/b3-2+ |
| Smiles | COC1=C(C=CC(=C1)O)C2=CC3=C(O2)C=CC(=C3)/C=C/CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients