3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-one

HCID 94197

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Basic information

CAS: 959-33-1
Standard SMILES: COc1ccc(C=CC(=O)c2ccccc2)cc1
InChIKey: XUFXKBJMCRJATM-UHFFFAOYSA-N
Molecular formula: C16H14O2
Average molar mass: 238.28 g/mol
Monoisotopic mass: 238.09937969

Names & identifiers

Preferred name: 3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-one
IUPAC: 3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
English name: 4-Methoxychalcone
Molecular formula: C16H14O2
Molecular weight: 238.28

Names & synonyms

3-(4-methoxyphenyl)-1-phenylprop-2-en-1-oneAnisal-acetophenon3-(4-Methoxy-phenyl)-1-phenyl-propenoneSCHEMBL521906orb1299296DTXSID70870818XUFXKBJMCRJATM-UHFFFAOYSA-NAKOS024306989PD158953PD158954SY049670DB-057615

Show more names

(E)-3-(4-METHOXYPHENYL)-1-PHENYLPROP-2-EN-1-ONE2-(4-METHOXYBENZAL)ACETOPHENONE4-Methoxychalkon4-MethoxychalconeMETHOXYCHALCONE, 4-RARECHEM AM UC 06084-Methoxychalcone-1Chalcone, 4-methoxy-4-Methoxychalcone>4-Methoxychalcone,98%

2-Propen-1-one,3-(4-methoxyphenyl)-1-phenyl-3-(4-methoxyphenyl)-1-phenyl-prop-2-en-1-one3-(4-methoxyphenyl)-1-phenyl-prop-2-ene-1-one

Database identifiers

CAS: 959-33-1
PubChem CID: 94197
DTXSID: DTXSID70870818

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 281

Physicochemical properties

Melting point: 73 · 73-76 °C(lit.)
Boiling point: 340.88 °C · 340.88°C (rough estimate)
Density: 1.114 · 1.114
refractive index: 1.629 · 1.6290 (estimate)
form: Crystalline Powder
color: Yellow
BRN: 978742 · 978742
Cosmetics Ingredients Functions: ANTIOXIDANTSKIN CONDITIONINGBLEACHING
LogP: 3.96 · 3.960 (est)
CAS DataBase Reference: 959 · 959-33-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29146990 · 29146990

Safety & regulation

Safety data

wgk: 3
hs_code: 29146990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Methoxychalcone (cas# 959-33-1) is a useful reagent for the synthesis of novel nicotinonitrile-coumarin hybrids as potential acetylcholinesterase inhibitors.