4,4'-[rel-(2R,3R,4R,5R)-3,4-Dimethyltetrahydrofuran-2,5-diyl]diphenol
PubChem CID: 11033399
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| Compound Synonyms | 4,4'-[rel-(2R,3R,4R,5R)-3,4- Dimethyltetrahydrofuran-2,5-diyl]diphenol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | 4-[(2R,3R,4R,5R)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C18H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PIBJADPEZQHMQS-GWIYSAMLSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.548 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.023 |
| Compound Name | 4,4'-[rel-(2R,3R,4R,5R)-3,4-Dimethyltetrahydrofuran-2,5-diyl]diphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2815581428571425 |
| Inchi | InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12-,17-,18-/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@@H](O[C@H]1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Larrea Tridentata (Plant) Rel Props:Source_db:cmaup_ingredients