1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one
PubChem CID: 44560848
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| Compound Synonyms | CHEBI:70699, 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one, CHEMBL461084, (6E)-1-(4-hydroxyphenyl)-7-phenylhept-6-en-3-one, 1-(4-hydroxyphenyl)-7-phenyl-(6e)-6-hepten-3-one, Q27139030 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(4-hydroxyphenyl)-7-phenylhept-6-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HLXPZGZUVCDNGK-XBXARRHUSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.51 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.224 |
| Compound Name | 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-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 | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.071732542857142 |
| Inchi | InChI=1S/C19H20O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-4,6-8,11-12,14-15,21H,5,9-10,13H2/b8-4+ |
| Smiles | C1=CC=C(C=C1)/C=C/CCC(=O)CCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all