5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-Benzenediol
PubChem CID: 44563762
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| Compound Synonyms | 629643-27-2, 5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-Benzenediol, CHEMBL473518, 5-((1E)-2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-benzenediol, Gnetucleistol E, 4'-O-methylisorhapontigenin, 5-(1E)-2-(3,4-Dimethoxyphenyl)ethenyl-1,3-benzenediol, Y5XLT99N4N, SCHEMBL10307426, CHEBI:232111, BDBM50247221, AKOS015915151, AC-24230, 5-(3,4-dimethoxystyryl)benzene-1,3-diol, DB-295896, trans-3,5-dihydroxy-3',4'-dimethoxystilbene, 5-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-benzenediol, 1,3-Benzenediol, 5-[2-(3,4-dimethoxyphenyl)ethenyl]-, 1,3-Benzenediol, 5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]- |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT30, NPT31, NPT1603 |
| Xlogp | 3.4 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHKSEHKYYXHCTA-ONEGZZNKSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.253 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.196 |
| Compound Name | 5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-Benzenediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.196759999999999 |
| Inchi | InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stuhlmannia Moavi (Plant) Rel Props:Source_db:cmaup_ingredients