chempirical

3-Bromo-2-methylbenzenemethanol

C8H9BrOCAS 83647-43-2201.06 g/mol

Open in Covalent MOL file
BrOH
AlcoholAryl halide

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
Melting point
103–104 °C
logP
2.25Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
83647-43-2
SMILES
Cc1c(Br)cccc1CO
InChIKey
XYDXDWXAAQXHLK-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3

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

Names and synonyms

3 names
  • Benzenemethanol, 3-bromo-2-methyl-
  • 3-Bromo-2-methylbenzyl alcohol
  • (3-Bromo-2-methylphenyl)methanol

Work with 3-Bromo-2-methylbenzenemethanol

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

2,3-Dimethylbenzenemethanol13651-14-462 % similar 3-Amino-2-methylbenzyl alcohol83647-42-160 % similar 2-Bromobenzyl alcohol18982-54-259 % similar 2-Methyl[1,1′-biphenyl]-3-methanol76350-90-855 % similar 2-Methyl-3-nitrobenzenemethanol23876-13-351 % similar 1-Bromo-2,3-dimethylbenzene576-23-848 % similar 3-Bromo-2-methylaniline55289-36-647 % similar 2-Bromo-6-chlorotoluene62356-27-847 % similar

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

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 2-Bromo-4-methylanisole22002-45-5

Elsewhere

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