1-Bromo-4-(hexyloxy)benzene

C12H17BrOCAS 30752-19-3257.17 g/mol

Open in Covalent MOL file
OBr
Aryl halideEther

Properties

Molecular formula
C12H17BrO
Molar mass
257.17 g/mol
Exact mass
256.0463 Da
Boiling point
140–143 °C (at 5 Torr)
logP
4.41Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
30752-19-3
SMILES
CCCCCCOc1ccc(Br)cc1
InChIKey
GKLMJONYGGTHHM-UHFFFAOYSA-N
InChI
InChI=1S/C12H17BrO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10H2,1H3

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Names and synonyms

9 names
  • Benzene, 1-bromo-4-(hexyloxy)-
  • Ether, p-bromophenyl hexyl
  • p-(Hexyloxy)bromobenzene
  • p-Bromophenyl hexyl ether
  • 4-Hexyloxybromobenzene
  • 4-Hexyloxybenzene bromide
  • 1-Bromo-4-hexoxybenzene
  • 1-Bromo-4-n-hexyloxybenzene
  • 1-(4-Bromophenoxy)hexane

Work with 1-Bromo-4-(hexyloxy)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

p-Bromophenyl octyl ether96693-05-9100 % similar 1-Bromo-4-(pentyloxy)benzene30752-18-296 % similar 4-Butoxybromobenzene39969-57-886 % similar 1-Bromo-4-propoxybenzene39969-56-772 % similar 4-(Heptyloxy)phenol13037-86-069 % similar 4-(Hexyloxy)phenol18979-55-069 % similar 4-(Octyloxy)phenol3780-50-569 % similar p-Heptyloxyaniline39905-44-764 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-5-(4-methoxyphenyl)pentane14469-84-2 Adamantyl bromomethyl ketone5122-82-7

Elsewhere

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