p-Bromophenyl octyl ether

C₁₄H₂₁BrOCAS 96693-05-9285.23 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₄H₂₁BrO
Molar mass: 285.23 g/mol
Exact mass: 284.0776 Da
logP: 5.19Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8

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

96693-05-9

SMILES

CCCCCCCCOC1=CC=C(C=C1)Br

InChIKey

UVBFFPZGOOKWNR-UHFFFAOYSA-N

InChI

InChI=1S/C14H21BrO/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11H,2-7,12H2,1H3

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Names and synonyms

1 names

4-N-Octyloxybromobenzene

Work with p-Bromophenyl octyl ether

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

1-Bromo-4-(hexyloxy)benzene30752-19-3100 % 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

4-Bromo-2,6-di-tert-butylphenol1139-52-2 2-Bromo-4,6-di-tert-butylphenol20834-61-1

Elsewhere

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