(E)-6-hydroxy-1,7-diphenylhept-4-en-3-one
PubChem CID: 24755150
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| Compound Synonyms | CHEMBL240908 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C19H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TYZZLIGGENRWEF-BUHFOSPRSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -2.95 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.444 |
| Compound Name | (E)-6-hydroxy-1,7-diphenylhept-4-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.681132542857143 |
| Inchi | InChI=1S/C19H20O2/c20-18(12-11-16-7-3-1-4-8-16)13-14-19(21)15-17-9-5-2-6-10-17/h1-10,13-14,19,21H,11-12,15H2/b14-13+ |
| Smiles | C1=CC=C(C=C1)CCC(=O)/C=C/C(CC2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all