1,7-Diphenyl-4-hepten-3-one
PubChem CID: 5316932
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,7-diphenyl-4-hepten-3-one, 79559-59-4, (E)-1,7-diphenylhept-4-en-3-one, DAH-3-Keto-4-en, CHEMBL240484, MEGxp0_001315, SCHEMBL6373065, ACon1_001294, CHEBI:173877, HY-N8826, BDBM50556723, AKOS040760876, (4E)-1,7-diphenylhept-4-en-3-one, FS-7901, (4E)-1,7-diphenyl-hepta-4-en-3-on, NCGC00180658-01, DA-69417, CS-0149135, NS00097283, 1,7-Diphenyl-4-hepten-3-one, >=95% (LC/MS-UV), BRD-K64408267-001-01-9, 170033-27-9, InChI=1/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y2T5 |
| Iupac Name | (E)-1,7-diphenylhept-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C19H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDNMYDZHPMNIEQ-RIYZIHGNSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.997 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.006 |
| Compound Name | 1,7-Diphenyl-4-hepten-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 264.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.3023815999999995 |
| Inchi | InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-6,8-12,14H,7,13,15-16H2/b14-8+ |
| Smiles | C1=CC=C(C=C1)CC/C=C/C(=O)CCC2=CC=CC=C2 |
| 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