chempirical

2-(4-Bromophenoxy)tetrahydro-2H-pyran

C11H13BrO2CAS 36603-49-3257.13 g/mol

Open in Covalent MOL file
BrOO
AcetalAryl halideEther

Properties

Molecular formula
C11H13BrO2
Molar mass
257.13 g/mol
Exact mass
256.0099 Da
Melting point
57–57.5 °C
Boiling point
109 °C (at 0.26 Torr)
logP
3.35Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
36603-49-3
SMILES
Brc1ccc(OC2CCCCO2)cc1
InChIKey
MXDQGXMBJCGRCB-UHFFFAOYSA-N
InChI
InChI=1S/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2

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Names and synonyms

13 names · show all
  • 2H-Pyran, 2-(4-bromophenoxy)tetrahydro-
  • Pyran, 2-(p-bromophenoxy)tetrahydro-
  • p-Bromotetrahydro-2-(pyranyloxy)benzene
  • p-(2-Tetrahydropyranyloxy)phenyl bromide
  • 4-(2-Tetrahydropyranyloxy)phenyl bromide
  • 4-Bromophenyl 2-tetrahydropyranyl ether
  • p-(Tetrahydropyranyloxy)phenyl bromide
  • 4-(2-Tetrahydropyranyloxy)bromobenzene
  • 2-(4-Bromophenoxy)tetrahydropyran
  • 2-(4-Bromophenoxy)-2H-tetrahydropyran
  • 4-Bromophenyl THP ether
  • 1-Bromo-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzene
  • 2-(4-Bromophenoxy)oxane

Work with 2-(4-Bromophenoxy)tetrahydro-2H-pyran

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

Deoxyarbutin53936-56-470 % similar 4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic Acid (contains varying amounts of Anhydride)182281-01-259 % similar 1-Bromo-4-(difluoromethoxy)benzene5905-69-144 % similar 1-Bromo-4-(pentyloxy)benzene30752-18-242 % similar 2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-641 % similar 2-(3-Bromopropoxy)tetrahydro-2H-pyran33821-94-241 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-341 % similar p-Bromophenyl octyl ether96693-05-941 % similar

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

Same formula

3-(2-Bromo-phenyl)-propionic acid ethyl ester135613-33-1 Methyl 2-(4-bromophenyl)-2-methylpropanoate154825-97-5 3-(4-Bromophenyl)propionic acid ethyl ester40640-98-0

Elsewhere

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