2,4-Dimethoxy-1-(1-propenyl)benzene
PubChem CID: 5314067
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| Compound Synonyms | 2,4-Dimethoxy-1-(1-propenyl)benzene, Benzene, 2,4-dimethoxy-1-(1-propenyl)-, 829-39-0, ghl.PD_Mitscher_leg0.56, SCHEMBL12090696, SKWTXGMULLCOGN-SNAWJCMRSA-N, 1-(2,5-dimethoxy)phenyl-1-propene, Benzene, 1-(E)-(1-propenyl)-2,4-dimethoxy |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethoxy-1-[(E)-prop-1-enyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C11H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SKWTXGMULLCOGN-SNAWJCMRSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -3.347 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.882 |
| Compound Name | 2,4-Dimethoxy-1-(1-propenyl)benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 178.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9029706615384616 |
| Inchi | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)8-11(9)13-3/h4-8H,1-3H3/b5-4+ |
| Smiles | C/C=C/C1=C(C=C(C=C1)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Epilobifolia (Plant) Rel Props:Source_db:cmaup_ingredients