4-Hydroxychalcone
PubChem CID: 5282361
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Hydroxychalcone, 20426-12-4, 38239-55-3, 4-hydroxy chalcone, 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-, (E)-3-(4-hydroxyphenyl)-1-phenyl-prop-2-en-1-one, (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one, (2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one, 3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one, Chalcone, 4-hydroxy-, (E)-4-Hydroxychalcone, 4-Hydroxybenzylidene acetophenone, JO97Q47VBU, 4-hydroxy-chalcone, (4-Hydroxybenzal)acetophenone, 3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one, CCRIS 2228, 2-(4-Hydroxybenzal)acetophenone, CHEBI:34423, NSC 60593, NSC-170282, TRANS-4-HYDROXYCHALCONE, DTXSID3022453, 2-(4-Hydroxybenzylidene)acetophenone, MFCD00016488, NSC-60593, NSC 170282, (4-HYDROXYBENZYLIDENE)ACETOPHENONE, 1-phenyl-3-(4-hydroxyphenyl)-2-propen-1-one, (E)-3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one, 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-, (2E)-, 2-PROPEN-1-ONE, 3-(4-HYDROXYPHENYL)-1-PHENYL-, (E)-, UNII-JO97Q47VBU, Chalcone 2, Chalcone, 3, YISI, (E)-3-(4-Hydroxy-phenyl)-1-phenyl-propenone, starbld0019043, 3-(4-hydroxy-phenyl)-1-phenyl-prop-2-en-1-one, CHEMBL7747, MLS000777850, BIDD:ER0068, 4-Hydroxystyryl phenyll ketone, DTXCID702453, SCHEMBL1375837, BDBM86004, HMS2766F17, (4-Hydroxybenzylidene) acetophenone, NSC170282, STL561451, AKOS001325512, CCG-214736, FH70053, NCGC00246413-01, LS-14375, MS-11494, SMR000414187, DB-267089, HY-107818, CS-0030695, CS-0369633, H0955, NS00116308, S4763, D90982, AE-641/00204063, T5763121, Q27116057, Z46028347, (2E)-3-(4-Hydroxyphenyl)-1-phenyl-2-propen-1-one #, 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-(9CI), 622-377-6, IPJ |
|---|---|
| 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 | Occcccc6))/C=C/C=O)cccccc6 |
| 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 | 269.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O2 |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccccc1)c1ccccc1 |
| Inchi Key | PWWCDTYUYPOAIU-DHZHZOJOSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 4-hydroxy chalcone, 4-hydroxychalcone, chalcone, 4-hydroxy |
| Esol Class | Soluble |
| Functional Groups | c/C=C/C(c)=O, cO |
| Compound Name | 4-Hydroxychalcone |
| 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 |
| Inchi | InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H/b11-8+ |
| Smiles | C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776; ISBN:9788172363178; ISBN:9788185042084; ISBN:9788185042114