4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]-2-methoxyphenol
PubChem CID: 11738011
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| Compound Synonyms | CHEMBL469716 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| 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]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CFTKDOICDIITEC-DUXPYHPUSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.785 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.665 |
| Compound Name | 4-[(E)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]-2-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.141532763636363 |
| Inchi | InChI=1S/C18H16O4/c1-21-18-13-14(6-11-17(18)20)5-3-2-4-12-22-16-9-7-15(19)8-10-16/h2,4,6-11,13,19-20H,12H2,1H3/b4-2+ |
| Smiles | COC1=C(C=CC(=C1)C#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