Acrylophenone, 2',4'-dihydroxy-3-(m-hydroxy-p-methoxyphenyl)-
PubChem CID: 5372365
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| Compound Synonyms | 4-O-Methylbutein, 13323-67-6, Acrylophenone, 2',4'-dihydroxy-3-(m-hydroxy-p-methoxyphenyl)-, (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one, 3,2',4'-Trihydroxy-4-methoxychalcone, 1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one, 2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-, 1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one, SCHEMBL633169, CHEMBL4791427, CHEBI:178324, WGVFVBIJKULVHA-QHHAFSJGSA-N, HY-N8412, LMPK12120113, AKOS032949057, AKOS040761149, FS-8786, DA-60374, Chalcone, 2',3,4'-trihydroxy-4-methoxy-, CS-0144118, (2E)-1-(2,4-Dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one #, 104236-79-5 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 381.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WGVFVBIJKULVHA-QHHAFSJGSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.728 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.736 |
| Compound Name | Acrylophenone, 2',4'-dihydroxy-3-(m-hydroxy-p-methoxyphenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.758311742857143 |
| Inchi | InChI=1S/C16H14O5/c1-21-16-7-3-10(8-15(16)20)2-6-13(18)12-5-4-11(17)9-14(12)19/h2-9,17,19-20H,1H3/b6-2+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients