chempirical

4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene

C11H15BrO3CAS 173336-76-0275.14 g/mol

Open in Covalent MOL file
OOBrO
Aryl halideEther

Properties

Molecular formula
C11H15BrO3
Molar mass
275.14 g/mol
Exact mass
274.0205 Da
Melting point
39 °C
logP
2.87Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
173336-76-0
SMILES
COCCCOc1cc(Br)ccc1OC
InChIKey
JFSCCLJKKCRXSS-UHFFFAOYSA-N
InChI
InChI=1S/C11H15BrO3/c1-13-6-3-7-15-11-8-9(12)4-5-10(11)14-2/h4-5,8H,3,6-7H2,1-2H3

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Names and synonyms

3 names
  • Benzene, 4-bromo-1-methoxy-2-(3-methoxypropoxy)-
  • 4-Methoxy-3-(3-methoxypropoxy)phenyl bromide
  • 1-Bromo-4-methoxy-3-(3-methoxypropoxy)benzene

Work with 4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene

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

Bromoveratrole2859-78-163 % similar 6-Bromo-1,4-benzodioxane52287-51-155 % similar 4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene324763-39-552 % similar 2,4-Dibromoanisole21702-84-150 % similar 4-Bromo-2-methylanisole14804-31-049 % similar 4-Bromo-2-methoxybenzenamine59557-91-449 % similar 5-Bromo-1,3-benzodioxole2635-13-449 % similar 5-Bromo-2-methoxybenzenemethanol80866-82-648 % similar

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

Elsewhere

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