chempirical

1-Benzyloxy-3-bromobenzene

C13H11BrOCAS 53087-13-1263.13 g/mol

Open in Covalent MOL file
BrO
Aryl halideEther

Properties

Molecular formula
C13H11BrO
Molar mass
263.13 g/mol
Exact mass
261.9993 Da
Melting point
59–63 °C
logP
4.03Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
53087-13-1
SMILES
Brc1cccc(OCc2ccccc2)c1
InChIKey
HVWZMGZBJCJDOX-UHFFFAOYSA-N
InChI
InChI=1S/C13H11BrO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-bromo-3-(phenylmethoxy)-
  • Ether, benzyl m-bromophenyl
  • 1-Bromo-3-(phenylmethoxy)benzene
  • 3-Benzyloxybromobenzene
  • 3-Bromophenyl benzyl ether
  • Benzyl 3-bromophenyl ether
  • 3-(Benzyloxy)-1-bromobenzene
  • 1-Bromo-3-benzyloxybenzene
  • 1-Bromo-3-[(phenylmethyl)oxy]benzene
  • 3-Bromophenyl phenylmethyl ether
  • m-Bromophenyl benzyl ether

Work with 1-Benzyloxy-3-bromobenzene

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

3-Benzyloxybenzyl bromide1700-31-864 % similar 3-(Benzyloxy)-5-bromopyridine130722-95-163 % similar 1-Iodo-3-(phenylmethoxy)benzene107623-21-259 % similar 3-(Benzyloxy)aniline1484-26-059 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-759 % similar 1-Bromo-3-ethoxybenzene2655-84-758 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-856 % similar Hydroquinone dibenzyl ether621-91-055 % similar

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

Same formula

4-Bromo-α-phenylbenzenemethanol29334-16-5 3-Phenoxybenzyl bromide51632-16-7 1-(Benzyloxy)-4-bromobenzene6793-92-6

Elsewhere

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