2-(3',4'-Dimethoxyphenylethyl)quinoline
PubChem CID: 11483233
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL458340, SCHEMBL8588707, OXJATSFPAYFXMW-UHFFFAOYSA-N, AKOS000277419, 2-(3',4'-Dimethoxyphenylethyl)quinoline |
|---|---|
| Topological Polar Surface Area | 31.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C19H19NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OXJATSFPAYFXMW-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.401 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.625 |
| Compound Name | 2-(3',4'-Dimethoxyphenylethyl)quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.142 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 293.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.626451018181818 |
| Inchi | InChI=1S/C19H19NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-6,8-9,11-13H,7,10H2,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)CCC2=NC3=CC=CC=C3C=C2)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all