chempirical

5-Bromo-2-methoxybenzenemethanol

C8H9BrO2CAS 80866-82-6217.06 g/mol

Open in Covalent MOL file
OBrHO
AlcoholAryl halideEther

Properties

Molecular formula
C8H9BrO2
Molar mass
217.06 g/mol
Exact mass
215.9786 Da
Melting point
72 °C
logP
1.95Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
80866-82-6
SMILES
COc1ccc(Br)cc1CO
InChIKey
HAOOGRLZVQWDBY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenemethanol, 5-bromo-2-methoxy-
  • Benzyl alcohol, 5-bromo-2-methoxy-
  • 3-Bromo-6-methoxybenzyl alcohol
  • 5-Bromo-2-methoxybenzyl alcohol
  • 2-Methoxy-5-bromobenzyl alcohol
  • (5-Bromo-2-methoxyphenyl)methanol

Work with 5-Bromo-2-methoxybenzenemethanol

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

2,5-Dimethoxybenzyl alcohol33524-31-164 % similar 5-Bromo-2-methoxyphenol37942-01-156 % similar 2,4-Dibromoanisole21702-84-155 % similar 2-Methoxybenzyl alcohol612-16-855 % similar 4-Bromo-2-methylanisole14804-31-053 % similar 5-Bromo-2-hydroxybenzyl alcohol2316-64-553 % similar 4-Bromo-2-fluoroanisole2357-52-051 % similar 2,3,4-Trimethoxybenzyl alcohol71989-96-351 % 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 2-(4-Bromophenoxy)ethanol34743-88-9

Elsewhere

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