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

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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 ID	CHEBI:229490
ChEBI Name	2-[(2-bromo-6-fluorobenzyl)oxy]-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane
Stars
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.
Last Modified	30 January 2024
Submitter	Adnan
Downloads	Molfile

Formula	C17H22BrFO2
Net Charge	0
Average Mass	357.263
Monoisotopic Mass	356.07872
SMILES	CC(C)C12CCC(C)(O1)C(OCc1c(F)cccc1Br)C2
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

Roles Classification

Biological Role:

volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	(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	Source
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]-1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane	ChEBI
2-[(2-bromo-6-fluorophenyl)methoxy]-4-isopropyl-1-methyl-7-oxabicyclo[2.2.1]heptane	ChEBI

Registry Numbers	Sources
CAS:2892524-04-6	ChEBI