CHEBI:229490 - 2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane

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ChEBI Name 2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
ChEBI ID CHEBI:229490
Definition An oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-bromo-6-fluorophenyl)methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H22BrFO2
Net Charge 0
Average Mass 357.263
Monoisotopic Mass 356.07872
InChI InChI=1S/C17H22BrFO2/c1-11(2)17-8-7-16(3,21-17)15(9-17)20-10-12-13(18)5-4-6-14(12)19/h4-6,11,15H,7-10H2,1-3H3
InChIKey COHOXAPLFQQAGA-UHFFFAOYSA-N
SMILES CC(C)C12CCC(C)(O1)C(C2)OCC1=C(F)C=CC=C1Br
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via cineole )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490) is a benzyl ether (CHEBI:59859)
2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490) is a bromobenzenes (CHEBI:37149)
2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490) is a cineole (CHEBI:23243)
2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490) is a monofluorobenzenes (CHEBI:83575)
2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490) is a oxabicycloalkane (CHEBI:46733)
Incoming (1R,2S,4S)-cinflubrolin (CHEBI:229491) is a 2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490)
(1S,2R,4R)-cinflubrolin (CHEBI:229492) is a 2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:229490)
IUPAC Name
2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Synonyms Sources
2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane ChEBI
2-[(2-bromo-6-fluorophenyl)methoxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane IUPAC
2-[(2-bromo-6-fluorophenyl)methoxy]-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane ChEBI
Registry Number Type Source
2892524-04-6 CAS Registry Number ChEBI
Last Modified
30 January 2024
General Comment
2024-01-30 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (cinflubrolin) and its individual isomers.