4-[2-(3,5-Dimethoxyphenyl)ethenyl]phenol
PubChem CID: 160517
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-[2-(3,5-dimethoxyphenyl)ethenyl]phenol, Phenol, 4-[(1Z)-2-(3,5-dimethoxyphenyl)ethenyl]-, Phenol, 4-[2-(3,5-dimethoxyphenyl)ethenyl]-, CHEMBL4303505, DTXSID30859467, HMS3393B10, SY053629, DB-030291, DB-070514, A826497 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(3,5-dimethoxyphenyl)ethenyl]phenol |
| Prediction Hob | 1.0 |
| Class | Stilbenes |
| Xlogp | 3.8 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VLEUZFDZJKSGMX-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.012 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.798 |
| Compound Name | 4-[2-(3,5-Dimethoxyphenyl)ethenyl]phenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.013834621052631 |
| Inchi | InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Stilbenes |
- 1. Outgoing r'ship
FOUND_INto/from Fallopia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients