Asparenyldiol
PubChem CID: 10084256
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| Compound Synonyms | Asparenyldiol, 166762-98-7, asparenydiol, CHEMBL452743, DTXSID501210851, HY-N11835, DA-71077, CS-0865977, 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol, 4-[(3E)-5-(4-Hydroxyphenoxy)-3-penten-1-yn-1-yl]phenol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXRXAVMCQJHRCM-HNQUOIGGSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -3.574 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.66 |
| Compound Name | Asparenyldiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.0743352 |
| Inchi | InChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1+ |
| Smiles | C1=CC(=CC=C1C#C/C=C/COC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all