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2-(1-Methylcyclohexyl)-4-bromoanisole

HCID 10684359
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(Br)cc1C1(C)CCCCC1
InChIKey
ZYDOULRBSVMBEN-UHFFFAOYSA-N
Molecular formula
C14H19BrO
Average molar mass
283.2 g/mol

Names & identifiers

Preferred name
2-(1-Methylcyclohexyl)-4-bromoanisole
IUPAC
4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene

Names & synonyms

SCHEMBL5827697ZYDOULRBSVMBEN-UHFFFAOYSA-N2-(1-methylcyclohexyl)-4-bromoanisole4-bromo-2-(1-methylcyclohexyl) anisole

Database identifiers

PubChem CID
10684359

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
223

Related reactions

7 records
New reaction record
HRID 249026 reaction equation
HRID 249026As productuspto-grants-1993_05
HRID 860566 reaction equation
HRID 860566As reactantuspto-grants-2006_12
HRID 860567 reaction equation
HRID 860567As productuspto-grants-2006_12
HRID 860568 reaction equation
HRID 860568As productuspto-grants-2006_12
HRID 961583 reaction equation
HRID 961583As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1651320 reaction equation
HRID 1651320As productuspto-grants-1990_05
HRID 2316600 reaction equation
HRID 2316600As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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