1-Propanone, 1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-
PubChem CID: 10221174
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| Compound Synonyms | 133346-24-4, 1-Propanone, 1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)-, 1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one, DTXSID80436964, 1-(2,4-dihydroxy-phenyl)-3-hydroxy-3-(4-hydroxy-phenyl)-1-propanone |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)propan-1-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Is Pains | False |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCTMMRDISKQYEL-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 1-Propanone, 1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8985864 |
| Inchi | InChI=1S/C15H14O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,13,16-19H,8H2 |
| Smiles | C1=CC(=CC=C1C(CC(=O)C2=C(C=C(C=C2)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients