1-Bromo-4-(hexyloxy)benzene

C₁₂H₁₇BrOCAS 30752-19-3257.17 g/mol

Open in Covalent MOL file

Aryl halide Ether

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

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

Weigh it out

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

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

4-(Heptyloxy)phenol13037-86-069 % similar 4-(Hexyloxy)phenol18979-55-069 % similar 4-(Octyloxy)phenol3780-50-569 % similar 4-(Octyloxy)benzenamine39905-45-864 % similar 4-(Hexyloxy)aniline39905-57-264 % similar 4-Bromophenetole588-96-560 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-758 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-458 % similar

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

Same formula

Adamantyl bromomethyl ketone5122-82-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook