4,5,6-Trimethoxy-2-prop-1-en-2-yl-1-benzofuran
PubChem CID: 162953917
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,6-trimethoxy-2-prop-1-en-2-yl-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C14H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LJXSDVVEZQEHTH-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.521 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.628 |
| Compound Name | 4,5,6-Trimethoxy-2-prop-1-en-2-yl-1-benzofuran |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 248.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 248.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7974235999999992 |
| Inchi | InChI=1S/C14H16O4/c1-8(2)10-6-9-11(18-10)7-12(15-3)14(17-5)13(9)16-4/h6-7H,1H2,2-5H3 |
| Smiles | CC(=C)C1=CC2=C(C(=C(C=C2O1)OC)OC)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Aucheri (Plant) Rel Props:Source_db:cmaup_ingredients