1-Bromo-4-(pentyloxy)benzene

C₁₁H₁₅BrOCAS 30752-18-2243.14 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₁H₁₅BrO
Molar mass: 243.14 g/mol
Exact mass: 242.0306 Da
logP: 4.02Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Identifiers

CAS number

30752-18-2

SMILES

CCCCCOC1=CC=C(C=C1)Br

InChIKey

ILLQRHZDICIFRQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BrO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-(N-Pentyloxy)bromobenzene

Work with 1-Bromo-4-(pentyloxy)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

1-Bromo-4-(hexyloxy)benzene30752-19-396 % similar 4-Butoxybromobenzene39969-57-889 % similar 1-Bromo-4-propoxybenzene39969-56-775 % similar 4-(Heptyloxy)phenol13037-86-066 % similar 4-(Hexyloxy)phenol18979-55-066 % similar 4-(Octyloxy)phenol3780-50-566 % similar 4-Bromophenetole588-96-562 % similar p-Heptyloxyaniline39905-44-761 % similar

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

Elsewhere

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