2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol
PubChem CID: 5319469
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| Compound Synonyms | gamma-Methoxyisoeugenol, 63644-71-3, 2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol, 2-methoxy-4-[(E)-3-methoxyprop-1-enyl]phenol, 2-Methoxy-4-(3-methoxyprop-1-en-1-yl)phenol, coniferyl methyl ether, 9-methoxyconiferyl alcohol, 9-methoxy-coniferyl alcohol, SCHEMBL11746562, coniferyl alcohol 9-methyl ester, HY-N3919, AKOS022644671, AKOS040761760, FS-8674, DA-53483, XM173072, CS-0024454, Q27458701, C9M |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-4-[(E)-3-methoxyprop-1-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C11H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SBENKNZHVXGNTP-ONEGZZNKSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -1.625 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.919 |
| Compound Name | 2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.5652688571428572 |
| Inchi | InChI=1S/C11H14O3/c1-13-7-3-4-9-5-6-10(12)11(8-9)14-2/h3-6,8,12H,7H2,1-2H3/b4-3+ |
| Smiles | COC/C=C/C1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients