3-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-5-methoxy-phenol
PubChem CID: 15698945
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL109860, BDBM50085545, 3-hydroxy-4,3'',5''-trimethoxy-trans-stilbene, 3-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-5-methoxy-phenol |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19838, Q04206 |
| Iupac Name | 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VLLUXNYOVSHCHO-SNAWJCMRSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.063 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.504 |
| Compound Name | 3-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-5-methoxy-phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.0705845428571426 |
| Inchi | InChI=1S/C17H18O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all