2',4'-Dihydroxy-3-(p-methoxyphenyl)-propiophenone
PubChem CID: 578444
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| Compound Synonyms | 93435-21-3, 2',4'-dihydroxy-3-(p-methoxyphenyl)-propiophenone, 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)propan-1-one, 2',4'-DIHYDROXY-4-METHOXYDIHYDROCHALCONE, 2,4-Dihydroxyphenyl-p-methoxyphenyl ethyl ketone, 4-O-METHYLDAVIDIGENIN, SCHEMBL4656453, CHEMBL4531870, DTXSID20342075, WHIXVXRRHPHWRQ-UHFFFAOYSA-N, AKOS027379513, XD161895, 1-(2,4-Dihydroxyphenyl)-3-(4-methoxyphenyl)-1-propanone #, 1-(2,4-Dihydroxyphenyl)-3-(4-methoxyphenyl)-1-propanone, 4-O-Methyl davidigenin, 2',4'-Dihydroxy-3-(p-methoxyphenyl)-propiophenone (7C I) |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHIXVXRRHPHWRQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.746 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.209 |
| Compound Name | 2',4'-Dihydroxy-3-(p-methoxyphenyl)-propiophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8535599999999994 |
| Inchi | InChI=1S/C16H16O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-3,5-8,10,17,19H,4,9H2,1H3 |
| Smiles | COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Source_db:cmaup_ingredients