2-[(Z)-heptadec-12-enyl]-1-benzofuran-5-ol
PubChem CID: 156016589
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| Compound Synonyms | CHEMBL4642465 |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(Z)-heptadec-12-enyl]-1-benzofuran-5-ol |
| Prediction Hob | 0.0 |
| Xlogp | 9.8 |
| Molecular Formula | C25H38O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATEVVOZVELYRHJ-WAYWQWQTSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.052 |
| Rotatable Bond Count | 15.0 |
| Logd | 5.226 |
| Compound Name | 2-[(Z)-heptadec-12-enyl]-1-benzofuran-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.287 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.287 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 370.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.574544066666667 |
| Inchi | InChI=1S/C25H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-21-22-20-23(26)18-19-25(22)27-24/h5-6,18-21,26H,2-4,7-17H2,1H3/b6-5- |
| Smiles | CCCC/C=C\CCCCCCCCCCCC1=CC2=C(O1)C=CC(=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Choerospondias Axillaris (Plant) Rel Props:Source_db:cmaup_ingredients