(E)-3-[3,5-dimethoxy-4-[(E)-2-methylbut-1-enoxy]phenyl]prop-2-en-1-ol
PubChem CID: 44566970
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| Compound Synonyms | CHEMBL464893 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[3,5-dimethoxy-4-[(E)-2-methylbut-1-enoxy]phenyl]prop-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CGQOMZFSZIOBFO-PHFMIZANSA-N |
| Fcsp3 | 0.375 |
| Logs | -1.913 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.384 |
| Compound Name | (E)-3-[3,5-dimethoxy-4-[(E)-2-methylbut-1-enoxy]phenyl]prop-2-en-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 278.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4488576 |
| Inchi | InChI=1S/C16H22O4/c1-5-12(2)11-20-16-14(18-3)9-13(7-6-8-17)10-15(16)19-4/h6-7,9-11,17H,5,8H2,1-4H3/b7-6+,12-11+ |
| Smiles | CC/C(=C/OC1=C(C=C(C=C1OC)/C=C/CO)OC)/C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligularia Nelumbifolia (Plant) Rel Props:Source_db:cmaup_ingredients