2-(6-Acetyl-5-hydroxy-1-benzofuran-2-yl)prop-2-enyl acetate
PubChem CID: 85775718
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| Topological Polar Surface Area | 76.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 416.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(6-acetyl-5-hydroxy-1-benzofuran-2-yl)prop-2-enyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WKTBMSBPLSKSKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.303 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.566 |
| Compound Name | 2-(6-Acetyl-5-hydroxy-1-benzofuran-2-yl)prop-2-enyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4082863999999997 |
| Inchi | InChI=1S/C15H14O5/c1-8(7-19-10(3)17)14-5-11-4-13(18)12(9(2)16)6-15(11)20-14/h4-6,18H,1,7H2,2-3H3 |
| Smiles | CC(=O)C1=C(C=C2C=C(OC2=C1)C(=C)COC(=O)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Cannabinum (Plant) Rel Props:Source_db:cmaup_ingredients