2-Hydroxychalcone
PubChem CID: 5367146
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| Compound Synonyms | 2-Hydroxychalcone, 644-78-0, 42224-53-3, 3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one, (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one, (2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one, (E)-2-Hydroxychalcone, 2-(2-Hydroxybenzal)acetophenone, Salicylalacetophenone, 2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl-, 2-Hydroxybenzylidene acetophenone, EINECS 211-422-1, NSC 640539, AI3-00855, MLS002608038, NSC640539, 3-(2-hydroxyphenyl)-1-phenyl-2-propen-1-one, Chalcone, 1, MFCD00016449, 2-Hydroxychalcone, 95%, SCHEMBL626785, SCHEMBL626787, CHEMBL147067, BDBM86002, HMS3078L22, NSC37432, 2-(2-Hydroxybenzylidene)acetophenone, NSC-37432, NSC170281, STK093271, AKOS000486194, AKOS025309995, FH43279, NSC-170281, NSC-640539, MS-10592, SMR001526790, HY-119931, CS-0078796, CS-0311212, H0234, NS00042209, D90823, AB-016/30005051, SR-01000078236, SR-01000078236-1, trans-3-(O-Hydroxyphenyl)-1-phenyl-2-propen-1-one, (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one, (2E)-3-(2-Hydroxyphenyl)-1-phenyl-2-propen-1-one #, 6-[(1Z,2Z)-3-Hydroxy-3-phenyl-2-propene-1-ylidene]-2,4-cyclohexadiene-1-one, 211-422-1, 624-468-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | O=Ccccccc6))))))/C=C/cccccc6O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Linear 1,3-diarylpropanoids |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Chalcones and dihydrochalcones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 277.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P47199, P11473, Q9UNA4, O75496, P43220, P63092, Q16236, Q77YF9, Q9NUW8, P37840, P06276, n.a., P80457 |
| Iupac Name | (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Target Id | NPT439 |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O2 |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UDOOPSJCRMKSGL-ZHACJKMWSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.487 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.188 |
| Synonyms | 2-hydroxychalcone |
| Esol Class | Soluble |
| Functional Groups | c/C=C/C(c)=O, cO |
| Compound Name | 2-Hydroxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 224.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 224.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.9802587411764705 |
| Inchi | InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+ |
| Smiles | C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
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