5-(3-Hydroxypropyl)-2,3-dimethoxyphenol
PubChem CID: 72942686
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| Compound Synonyms | 5-(3-Hydroxypropyl)-2,3-dimethoxyphenol, 63543-12-4, CHEMBL4175847, KULKGPSLJYNYLG-UHFFFAOYSA-N, Benzenepropanol, 3-hydroxy-4,5-dimethoxy- |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(3-hydroxypropyl)-2,3-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C11H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KULKGPSLJYNYLG-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.379 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.427 |
| Compound Name | 5-(3-Hydroxypropyl)-2,3-dimethoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 212.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0291189999999997 |
| Inchi | InChI=1S/C11H16O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h6-7,12-13H,3-5H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1OC)O)CCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schkuhria Pinnata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tarchonanthus Camphoratus (Plant) Rel Props:Source_db:cmaup_ingredients