3-[2-(3,5-Dimethoxyphenyl)ethyl]-4-methoxyphenol
PubChem CID: 60205841
Connections displayed (default: 10).
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| Topological Polar Surface Area | 47.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KVGYZEADBJYUMX-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -8.345 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.462 |
| Compound Name | 3-[2-(3,5-Dimethoxyphenyl)ethyl]-4-methoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.985583742857143 |
| Inchi | InChI=1S/C17H20O4/c1-19-15-8-12(9-16(11-15)20-2)4-5-13-10-14(18)6-7-17(13)21-3/h6-11,18H,4-5H2,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)O)CCC2=CC(=CC(=C2)OC)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients