(R)-5-Hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
PubChem CID: 10086048
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| Compound Synonyms | (R)-5-Hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one, AKOS040763428, 1961196-24-6, (5r)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylhept-3-one |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UNMNJFPAJOHXMT-LJQANCHMSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.625 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.698 |
| Compound Name | (R)-5-Hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5249047636363633 |
| Inchi | InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2/t19-/m1/s1 |
| Smiles | C1=CC=C(C=C1)CCC(=O)C[C@@H](CCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients