2,3,6-Trimethoxy-5-(1-Propenyl)Phenol
PubChem CID: 10955197
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| Compound Synonyms | 2,3,6-Trimethoxy-5-(1-propenyl)phenol, 2,3,6-trimethoxy-5-[(E)-prop-1-enyl]phenol, 2,3,6-trimethoxy-5-((E)-prop-1-enyl)phenol, CHEMBL501754 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,6-trimethoxy-5-[(E)-prop-1-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C12H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LNULYVLKYVWZFB-AATRIKPKSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.707 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.973 |
| Compound Name | 2,3,6-Trimethoxy-5-(1-Propenyl)Phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 224.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 224.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8125871999999994 |
| Inchi | InChI=1S/C12H16O4/c1-5-6-8-7-9(14-2)12(16-4)10(13)11(8)15-3/h5-7,13H,1-4H3/b6-5+ |
| Smiles | C/C=C/C1=CC(=C(C(=C1OC)O)OC)OC |
| 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