5-Ethoxyl-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
PubChem CID: 129864124
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| Compound Synonyms | 5-ethoxyl-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | NIRRYLSZORCZBF-UHFFFAOYSA-N |
| Fcsp3 | 0.4090909090909091 |
| Rotatable Bond Count | 11.0 |
| Heavy Atom Count | 26.0 |
| Compound Name | 5-Ethoxyl-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 356.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.199 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 392.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 356.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethoxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -4.179302861538462 |
| Inchi | InChI=1S/C22H28O4/c1-3-26-20(13-10-18-11-14-21(24)22(15-18)25-2)16-19(23)12-9-17-7-5-4-6-8-17/h4-8,11,14-15,20,24H,3,9-10,12-13,16H2,1-2H3 |
| Smiles | CCOC(CCC1=CC(=C(C=C1)O)OC)CC(=O)CCC2=CC=CC=C2 |
| Xlogp | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C22H28O4 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients