chempirical

1-Bromo-2,4-dimethoxybenzene

C8H9BrO2CAS 17715-69-4217.06 g/mol

Open in Covalent MOL file
OBrO
Aryl halideEther

Properties

Molecular formula
C8H9BrO2
Molar mass
217.06 g/mol
Exact mass
215.9786 Da
Melting point
24–26 °C
Boiling point
138–141 °C
logP
2.47Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
17715-69-4
SMILES
COc1ccc(Br)c(OC)c1
InChIKey
NIUZVSQOXJIHBL-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3

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Names and synonyms

8 names
  • Benzene, 1-bromo-2,4-dimethoxy-
  • 4-Bromoresorcinol dimethyl ether
  • 2,4-Dimethoxyphenyl bromide
  • 4-Bromo-1,3-dimethoxybenzene
  • 2,4-Dimethoxybromobenzene
  • 1,3-Dimethoxy-4-bromobenzene
  • 4-Bromo-3-methoxyanisole
  • 2,4-Dimethoxy-1-bromobenzene

Work with 1-Bromo-2,4-dimethoxybenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-3-methylanisole27060-75-962 % similar 2-Bromo-5-methoxybenzenamine59557-92-562 % similar 1,2,4-Trimethoxybenzene135-77-362 % similar 4-Bromo-3-methoxyphenol102127-34-460 % similar 1-Bromo-4-chloro-2-methoxybenzene174913-09-860 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-460 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-560 % similar 2-Bromo-5-methoxyphenol63604-94-460 % similar

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

Same formula

2-Bromo-1,3-dimethoxybenzene16932-45-9 1-Bromo-2,5-dimethoxybenzene25245-34-5 Bromoveratrole2859-78-1 2-(4-Bromophenoxy)ethanol34743-88-9 5-Bromo-2-methoxybenzenemethanol80866-82-6

Elsewhere

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