Basic information
- Standard SMILES
COc1ccc(C=CC(=O)c2ccccc2O)cc1OC- InChIKey
MFLSRHQHCDTOGH-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- 2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-
- IUPAC
- 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
- English name
- 3,4-Dimethoxy-2'-hydroxychalcone
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one3-(3,4-dimethoxy phenyl)-1-(2-hydroxy phenyl)-2-propen-1-oneSCHEMBL634191SCHEMBL30384240DTXSID7013024322-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-EDA140202'-Hydroxy-3,4-Dimethoxy chalcone2a(2)-Hydroxy-3,4-dimethoxychalconeDB-0447682'-HYDROXY-3,4-DIMETHOXYCHALCONE3,4-Dimethoxy-2'-hydroxychalcone
Show more names
2''-Hydroxy-3,4-dimethoxychalcone2-Propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one , 2'-Hydroxy-3,4-dimethoxychalcone
Database identifiers
- CAS
19152-36-4- PubChem CID
- 2794956
- DTXSID
DTXSID701302432
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 113 · 113 - 115°C
- Boiling point
- 466.4 · 466.4±45.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 7.67 · 7.67±0.30(Predicted)
- color
- Yellow to Orange
- Stability
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2914409000 · 2914409000
Safety & regulation
Safety data
- hs_code
- 2914409000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2''-Hydroxy-3,4-dimethoxychalcone, is a building block used in various chemical synthesis such as in the synthesis of new flavanoid and chalcone derivatives as antimicrobial agent by green chemistry approach.
Upstream & downstream products
Upstream raw materials
Suppliers20 total
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