1,7-Bis(4-hydroxyphenyl)hept-6-en-3-one
PubChem CID: 49831652
Connections displayed (default: 10).
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| Compound Synonyms | 1251830-57-5, 1,7-Bis(4-hydroxyphenyl)hept-6-en-3-one, (6E)-1,7-Bis(4-hydroxyphenyl)-6-hepten-3-one, (E)-1,7-bis(4-hydroxyphenyl)hept-6-en-3-one, CHEBI:70698, (E)-1,7-bis(4-hydroxyphenyl)-6-hepten-3-one, 6-Hepten-3-one, 1,7-bis(4-hydroxyphenyl)-, (6E)-, CHEMBL1270155, HY-N0997, AKOS025288815, DA-59536, 1?7-Bis(4-hydroxyphenyl)hept-6-en-3-one, CS-0016233, (6E)-1,7-bis(4-hydroxyphenyl)hept-6-en-3-one, Q27139029 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713, n.a. |
| Iupac Name | (E)-1,7-bis(4-hydroxyphenyl)hept-6-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PDFRZPRYDQDKCQ-HNQUOIGGSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -2.948 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.085 |
| Compound Name | 1,7-Bis(4-hydroxyphenyl)hept-6-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9249055636363632 |
| Inchi | InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-6,8-9,11-14,21-22H,2,4,7,10H2/b3-1+ |
| Smiles | C1=CC(=CC=C1CCC(=O)CC/C=C/C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
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