2-Allyl-5-ethoxy-4-methoxyphenol
PubChem CID: 596924
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| Compound Synonyms | 2-Allyl-5-ethoxy-4-methoxyphenol, 522598-84-1, DTXSID10344442, DTXCID20295517, DB-288518, Phenol, 5-ethoxy-4-methoxy-2-(2-propenyl)- |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethoxy-4-methoxy-2-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C12H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZGDJSXKWCOVQEY-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.42 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.907 |
| Compound Name | 2-Allyl-5-ethoxy-4-methoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 208.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9556933999999995 |
| Inchi | InChI=1S/C12H16O3/c1-4-6-9-7-11(14-3)12(15-5-2)8-10(9)13/h4,7-8,13H,1,5-6H2,2-3H3 |
| Smiles | CCOC1=C(C=C(C(=C1)O)CC=C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Calamus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Acorus Gramineus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients