Methyl 3-(6,7-dimethoxy-1-benzofuran-5-yl)propanoate
PubChem CID: 101515651
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| Topological Polar Surface Area | 57.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3-(6,7-dimethoxy-1-benzofuran-5-yl)propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BUXWKMDYYFPZLW-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.196 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.8 |
| Compound Name | Methyl 3-(6,7-dimethoxy-1-benzofuran-5-yl)propanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 264.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 264.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9135437157894737 |
| Inchi | InChI=1S/C14H16O5/c1-16-11(15)5-4-9-8-10-6-7-19-13(10)14(18-3)12(9)17-2/h6-8H,4-5H2,1-3H3 |
| Smiles | COC1=C(C=C2C=COC2=C1OC)CCC(=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients