2,2'-Dihydroxychalcone
PubChem CID: 638277
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,2'-Dihydroxychalcone, 15131-80-3, (E)-1,3-bis(2-hydroxyphenyl)prop-2-en-1-one, 1,3-Bis(2-hydroxyphenyl)-2-propen-1-one, 2-Propen-1-one, 1,3-bis(2-hydroxyphenyl)-, CHEMBL150755, 34000-30-1, (2E)-1,3-bis(2-hydroxyphenyl)prop-2-en-1-one, NSC 73256, NSC636811, D-501, 2,2 inverted exclamation marka-Dihydroxychalcone, MLS002693860, Acrylophenone, 2'-hydroxy-3-(o-hydroxyphenyl)-, NSC73256, 2,2'-Dihydroxychalchone, 2,2'-dihydroxy chalcone, Chalcone, 2,2'-dihydroxy-, KSHCTKZLHCSARH-MDZDMXLPSA-N, DTXSID101257980, 2,2'-Dihydroxychalcone, AldrichCPR, BDBM50015607, LMPK12120186, MFCD00017715, NSC-73256, STL192073, AKOS001017081, FD66599, HY-W154265, NSC 636811, NSC-636811, TS-10243, CS-0210670, AB00709632-01, (2E)-1,3-Bis(2-hydroxyphenyl)-2-propen-1-one, AR-683/41961171, Z56791055, 2-propen-1-one, 1,3-bis(2-hydroxyphenyl)-, (2E)-, InChI=1/C15H12O3/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | Occcccc6/C=C/C=O)cccccc6O |
| Heavy Atom Count | 18.0 |
| 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 | 311.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1,3-bis(2-hydroxyphenyl)prop-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O3 |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccccc1)c1ccccc1 |
| Inchi Key | KSHCTKZLHCSARH-MDZDMXLPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2,2'-dihydroxychalcone |
| Esol Class | Moderately soluble |
| Functional Groups | c/C=C/C(c)=O, cO |
| Compound Name | 2,2'-Dihydroxychalcone |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| 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/C15H12O3/c16-13-7-3-1-5-11(13)9-10-15(18)12-6-2-4-8-14(12)17/h1-10,16-17H/b10-9+ |
| Smiles | C1=CC=C(C(=C1)/C=C/C(=O)C2=CC=CC=C2O)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 Primula Denticulata (Plant) Rel Props:Reference:ISBN:9788185042138