(2S,3S)-6-methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID: 11807287
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| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3S)-6-methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRERFZXINXYHDY-QFYYESIMSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.664 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.482 |
| Compound Name | (2S,3S)-6-methoxy-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.906434621052631 |
| Inchi | InChI=1S/C16H16O3/c1-10-12-8-13(17)15(18-2)9-14(12)19-16(10)11-6-4-3-5-7-11/h3-10,16-17H,1-2H3/t10-,16-/m0/s1 |
| Smiles | C[C@@H]1[C@H](OC2=CC(=C(C=C12)O)OC)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients