4-Bromo-2-methoxybenzyl alcohol 97

C₈H₉BrO₂CAS 17102-63-5217.06 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
logP: 1.95Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

17102-63-5

SMILES

COC1=C(C=CC(=C1)Br)CO

InChIKey

HBEIHPSICGGZIF-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4,10H,5H2,1H3

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Names and synonyms

1 names

4-Bromo-2-methoxybenzyl alcohol

Work with 4-Bromo-2-methoxybenzyl alcohol 97

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

2,4-Dimethoxybenzyl alcohol7314-44-564 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-256 % similar (4-Bromo-2-methylphenyl)methanol17100-58-256 % similar 2-Methoxybenzyl alcohol612-16-855 % similar 2,4-Dibromobenzenemethanol666747-06-455 % similar 4-Bromo-2-methoxybenzenamine59557-91-453 % similar 5-Bromo-2-chloroanisole16817-43-951 % similar 4-Bromo-2-fluorobenzyl alcohol188582-62-951 % 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-3,5-dimethoxybenzene20469-65-2 1-Bromo-2,5-dimethoxybenzene25245-34-5 Bromoveratrole2859-78-1 2-(4-Bromophenoxy)ethanol34743-88-9 5-Bromo-2-methoxybenzenemethanol80866-82-6

Elsewhere

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