4-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-2,6-dimethoxyphenol
PubChem CID: 86024946
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| Compound Synonyms | CHEMBL3337991 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DZSCHUVHPWQTCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.164 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.234 |
| Compound Name | 4-[2-(3-Hydroxy-4-methoxyphenyl)ethyl]-2,6-dimethoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.838756763636364 |
| Inchi | InChI=1S/C17H20O5/c1-20-14-7-6-11(8-13(14)18)4-5-12-9-15(21-2)17(19)16(10-12)22-3/h6-10,18-19H,4-5H2,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients