2,3-Dimethoxy-5-(1-propenyl)phenol
PubChem CID: 10997885
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| Compound Synonyms | 2,3-Dimethoxy-5-(1-propenyl)phenol, 2,3-dimethoxy-5-[(E)-prop-1-enyl]phenol, (E)-2,3-Dimethoxy-5-(prop-1-en-1-yl)phenol, 477800-92-3, 2,3-dimethoxy-5-[(1E)-prop-1-en-1-yl]phenol, CHEMBL489518, CS-0097184, D75863 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethoxy-5-[(E)-prop-1-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C11H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JBHSIYWHUIBYPL-SNAWJCMRSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -2.08 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.049 |
| Compound Name | 2,3-Dimethoxy-5-(1-propenyl)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 | -2.7509688571428574 |
| Inchi | InChI=1S/C11H14O3/c1-4-5-8-6-9(12)11(14-3)10(7-8)13-2/h4-7,12H,1-3H3/b5-4+ |
| Smiles | C/C=C/C1=CC(=C(C(=C1)OC)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Smirnowia Iranica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all