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CHEBI:79576 - 2,2,4-trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate

ChEBI IDCHEBI:79576
ChEBI Name2,2,4-trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate
Stars
ASCII Name2,2,4-trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate
DefinitionA member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted by methyl groups at positions 2, 2 and 4 and a 4-fluorophenyl group at position 3 respectively.
Last Modified23 June 2015
DownloadsMolfile
FormulaC20H19FO3
Net Charge0
Average Mass326.367
Monoisotopic Mass326.13182
SMILESCC(=O)Oc1ccc2c(c1)OC(C)(C)C(c1ccc(F)cc1)=C2C
InChIInChI=1S/C20H19FO3/c1-12-17-10-9-16(23-13(2)22)11-18(17)24-20(3,4)19(12)14-5-7-15(21)8-6-14/h5-11H,1-4H3
InChIKeyHAPOCDJXLNLUQM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2,4-trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate (CHEBI:79576) is a acetate ester (CHEBI:47622)
2,2,4-trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate (CHEBI:79576) is a chromenes (CHEBI:23232)
2,2,4-trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran-7-ol acetate (CHEBI:79576) is a monofluorobenzenes (CHEBI:83575)
IUPAC Names 
3-(4-fluorophenyl)-2,2,4-trimethyl-2H-1-benzopyran-7-yl acetate
7-acetoxy-3-(4-fluoro-phenyl)-2,2,4-trimethyl-2H-chromene
Manual XrefsDatabases
C15056KEGG COMPOUND
Registry NumbersSources
Reaxys:1656918Reaxys