(E)-1-(4-hydroxy-3-methoxyphenyl)non-4-en-3-one
PubChem CID: 11959088
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| Compound Synonyms | CHEMBL24475, SCHEMBL12775270, (E)-1-(4-hydroxy-3-methoxyphenyl)non-4-en-3-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(4-hydroxy-3-methoxyphenyl)non-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NJMQENFOGOPOEK-VOTSOKGWSA-N |
| Fcsp3 | 0.4375 |
| Logs | -3.21 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.066 |
| Compound Name | (E)-1-(4-hydroxy-3-methoxyphenyl)non-4-en-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 262.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3457480105263153 |
| Inchi | InChI=1S/C16H22O3/c1-3-4-5-6-7-14(17)10-8-13-9-11-15(18)16(12-13)19-2/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3/b7-6+ |
| Smiles | CCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all