2-(4-Bromophenoxy)ethanol

C₈H₉BrO₂CAS 34743-88-9217.06 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₈H₉BrO₂
Molar mass: 217.06 g/mol
Exact mass: 215.9786 Da
Melting point: 55 °C
Boiling point: 132–134 °C (at 4.6 Torr)
logP: 1.82Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

34743-88-9

SMILES

OCCOc1ccc(Br)cc1

InChIKey

QYIOGYCRGNHDNK-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2

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Names and synonyms

7 names

Ethanol, 2-(4-bromophenoxy)-
Ethanol, 2-(p-bromophenoxy)-
2-(p-Bromophenoxy)ethanol
β-(p-Bromophenoxy)ethanol
NSC 190715
1-Bromo-4-(2-hydroxyethoxy)benzene
2-(4-Bromophenoxy)ethan-1-ol

Work with 2-(4-Bromophenoxy)ethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydroquinone bis(2-hydroxyethyl) ether104-38-174 % similar Phenoxyethanol122-99-659 % similar 2-(4-Chlorophenoxy)ethanol1892-43-959 % similar 4-Bromophenetole588-96-557 % similar 1-[2-(4-Bromophenoxy)ethyl]pyrrolidine1081-73-853 % similar 4-(2-Hydroxyethoxy)benzaldehyde22042-73-553 % similar 1,3-Bis(2-hydroxyethoxy)benzene102-40-952 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-1,3-dimethoxybenzene16932-45-9 1-Bromo-2,4-dimethoxybenzene17715-69-4 1-Bromo-2,5-dimethoxybenzene25245-34-5 Bromoveratrole2859-78-1 5-Bromo-2-methoxybenzenemethanol80866-82-6

Elsewhere

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