2-methoxy-4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
PubChem CID: 14213227
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| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 394.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-methoxy-4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C19H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FCFVMNGCSPIORZ-YZAYTREXSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.858 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.684 |
| Compound Name | 2-methoxy-4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 296.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.661405563636364 |
| Inchi | InChI=1S/C19H20O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4-12,19-20H,1-3H3/b5-4+/t12-,19-/m1/s1 |
| Smiles | C/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC(=C(C=C3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients