2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene

C₁₇H₂₇BrO₃CAS 172900-69-5359.30 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₇H₂₇BrO₃
Molar mass: 359.30 g/mol
Exact mass: 358.1144 Da
logP: 4.32Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 10
Stereocentres: Rin SMILES atom order

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

172900-69-5

SMILES

CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)CBr

InChIKey

ICJBMWOVLFPLFP-HNNXBMFYSA-N

InChI

InChI=1S/C17H27BrO3/c1-13(2)15(12-18)10-14-6-7-16(20-4)17(11-14)21-9-5-8-19-3/h6-7,11,13,15H,5,8-10,12H2,1-4H3/t15-/m0/s1

Weigh it out

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

Work with 2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene

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-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene324763-39-577 % similar 4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene173336-76-053 % similar Phyllanthin10351-88-952 % similar Aliskiren173334-57-146 % similar 4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone29925-17-544 % similar Aliskiren hemifumarate173334-58-242 % similar Macelignan107534-93-039 % similar Secoisolariciresinol29388-59-838 % similar

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

Elsewhere

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