chempirical

4-Bromophenetole

C8H9BrOCAS 588-96-5201.06 g/mol

Open in Covalent MOL file
OBr
Aryl halideEther

Properties

Molecular formula
C8H9BrO
Molar mass
201.06 g/mol
Exact mass
199.9837 Da
Melting point
4 °C
Boiling point
231 °C
logP
2.85Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
588-96-5
SMILES
CCOc1ccc(Br)cc1
InChIKey
WVUYYXUATWMVIT-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzene, 1-bromo-4-ethoxy-
  • Phenetole, p-bromo-
  • 1-Bromo-4-ethoxybenzene
  • p-Bromophenetole
  • p-Bromophenol ethyl ether
  • p-Ethoxybromobenzene
  • p-Ethoxyphenyl bromide
  • p-Bromoethoxybenzene
  • 4-Ethoxyphenyl bromide
  • Ethyl 4-bromophenyl ether
  • 4-Bromoethoxybenzene
  • 4-Bromophenyl ethyl ether
  • 4-Ethoxybromobenzene
  • NSC 8053

Work with 4-Bromophenetole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diethoxybenzene122-95-271 % similar 4-Ethoxyphenol622-62-862 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-360 % similar 1-Bromo-3-ethoxybenzene2655-84-759 % similar 2-(4-Bromophenoxy)ethanol34743-88-957 % similar P-Phenetidine156-43-456 % similar 1-Ethoxy-4-fluorobenzene459-26-756 % similar 4-Bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene461432-23-556 % similar

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

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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