Stemofuran L
PubChem CID: 50900045
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| Compound Synonyms | Stemofuran L, CHEBI:70407, 3-(1-benzofuran-2-yl)-5-methoxy-2,6-dimethylphenol, Q27138746, 1258271-73-6 |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1-benzofuran-2-yl)-5-methoxy-2,6-dimethylphenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Is Pains | False |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFBVNNOFXIGFCS-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Stemofuran L |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6544343999999995 |
| Inchi | InChI=1S/C17H16O3/c1-10-13(9-15(19-3)11(2)17(10)18)16-8-12-6-4-5-7-14(12)20-16/h4-9,18H,1-3H3 |
| Smiles | CC1=C(C(=C(C=C1C2=CC3=CC=CC=C3O2)OC)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brosimum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gnidia Polycephala (Plant) Rel Props:Source_db:cmaup_ingredients