8-[(4-Bromophenyl)methoxy]quinoline
Basic information
- CAS
59609-36-8- Standard SMILES
Brc1ccc(COc2cccc3cccnc23)cc1- InChIKey
XOSAUUYDBIHWTF-UHFFFAOYSA-N- Molecular formula
- C16H12BrNO
- Average molar mass
- 314.18 g/mol
Names & identifiers
- Preferred name
- 8-[(4-Bromophenyl)methoxy]quinoline
- IUPAC
- 8-[(4-bromophenyl)methoxy]quinoline
- English name
- 4-bromobenzyl 8-quinolinyl ether
- Molecular formula
- C16H12BrNO
- Molecular weight
- 314.17658
Names & synonyms
8-[(4-bromophenyl)methoxy]quinoline4-bromobenzyl 8-quinolinyl etherMLS001178942CHEMBL17047968-((4-Bromobenzyl)oxy)quinoline4-bromobenzyl (8-quinolyl) etherHMS2788I16AKOS001694834SMR000476611ST45108644AK-918/42179392
Database identifiers
- CAS
59609-36-8- ChEMBL
CHEMBL1704796
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
Solubility2.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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