HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Hydroxyphenyl)-1-phenylprop-2-en-1-one
2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl- · P-Cinnamoylphenol · 4-Hydroxychalcone · HYDROXYCHALCONE, 4- · 4-Hydroxychalcone, ≥ 96.0% · 2-(4-HYDROXYBENZAL)ACETOPHENONE · 4-HYDROXYBENZYLIDENEACETOPHENONE · 4-Hydroxychalcone, 10 mM in DMSO
Identifiers & Physical Properties
| CAS No. | 20426-12-4 |
|---|---|
| Molecular formula | C15H12O2 |
| Average molar mass | 224.25 g/mol |
| Monoisotopic mass | 224.08372962 g/mol |
| SMILES | O=C(C=Cc1ccc(O)cc1)c1ccccc1 |
| InChIKey | PWWCDTYUYPOAIU-UHFFFAOYSA-N |
| PubChem CID | 89340 |
| DTXSID | DTXSID60860248 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 269 |
| Melting point | 180-184 °C |
| Boiling point | 394.9±34.0 °C(Predicted) |
| Density | 1.191±0.06 g/cm3(Predicted) |
| Storage conditions | 4°C, protect from light |
| Solubility | DMSO: ≥ 250 mg/mL (1114.83 mM)Insoluble in water. |
| pKa (acidity coefficient) | 9.76±0.26(Predicted) |
| Physical state | Solid |
| Color | Light yellow to yellow |
| BRN | 2049155 |
| InChI | 1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H/b11-6+ |
| InChIKey | UAHGNXFYLAJDIN-IZZDOVSWSA-N |
| SMILES | Oc1ccc(cc1)C(=O)\C=C\c2ccccc2 |
| LogP (partition coefficient) | 2.911 (est) |
| CAS DataBase Reference | 20426-12-4(CAS DataBase Reference) |
| FDA UNII | JO97Q47VBU |
| UNSPSC Code | 12352200 |
| GHS pictogram | GHS07 |
| Signal word | Danger |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 37/39-26 |
| UN transport number | UN 3077 9/PG III |
| Water hazard class (WGK) | WGK 3 |
| RTECS number | UD1675000 |
| Hazard class | 9 |
| Packing group | III |
| Customs code | 29144090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
|---|---|
| RTECS number | UD1675000 |
| UN transport number | UN 3077 9/PG III |
| Customs code | 29144090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 37/39-26 |
| Hazard class | 9 |
| Storage class | 11 - Combustible Solids |
| Packing group | III |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
4-Hydroxychalcone is used as anti-angiogenesis, antineoplastic. It is also used as organic intermediates.