(4E,6E)-1-(4-hydroxyphenyl)-7-(4-methoxyphenyl)hepta-4,6-dien-3-one
PubChem CID: 73353552
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2398586 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 397.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,6E)-1-(4-hydroxyphenyl)-7-(4-methoxyphenyl)hepta-4,6-dien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C20H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LIAJVWYMSGZMPR-ZUVMSYQZSA-N |
| Fcsp3 | 0.15 |
| Logs | -4.468 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.57 |
| Compound Name | (4E,6E)-1-(4-hydroxyphenyl)-7-(4-methoxyphenyl)hepta-4,6-dien-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.309424356521738 |
| Inchi | InChI=1S/C20H20O3/c1-23-20-14-9-16(10-15-20)4-2-3-5-18(21)11-6-17-7-12-19(22)13-8-17/h2-5,7-10,12-15,22H,6,11H2,1H3/b4-2+,5-3+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C=C/C(=O)CCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
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