Stemofuran E
PubChem CID: 641367
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | STEMOFURAN E, 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol, CHEBI:70125, 4-benzofuranol, 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-, CHEMBL449756, Q27138465, 439900-87-5 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-hydroxy-5-methoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LWQZXNMQJHPTQF-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.33 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.242 |
| Compound Name | Stemofuran E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.506699628571429 |
| Inchi | InChI=1S/C17H16O4/c1-9-11(7-15(20-3)10(2)17(9)19)16-8-12-13(18)5-4-6-14(12)21-16/h4-8,18-19H,1-3H3 |
| Smiles | CC1=C(C(=C(C=C1C2=CC3=C(C=CC=C3O2)O)OC)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Collinsae (Plant) Rel Props:Source_db:npass_chem_all