4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene

C17H27ClO3CAS 324763-39-5314.85 g/mol

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OOClO
Alkyl halideEther

Properties

Molecular formula
C17H27ClO3
Molar mass
314.85 g/mol
Exact mass
314.1649 Da
logP
4.16Crippen estimate
Polar surface area
27.7 Ų
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.

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Identifiers

CAS number
324763-39-5
SMILES
COCCCOc1cc(C[C@@H](CCl)C(C)C)ccc1OC
InChIKey
OYYMMVGLRJVHEE-HNNXBMFYSA-N
InChI
InChI=1S/C17H27ClO3/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

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Names and synonyms

3 names
  • Benzene, 4-[(2R)-2-(chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)-
  • 2-(3-Methoxypropoxy)-4-[(R)-2-(chloromethyl)-3-methylbutyl]-1-methoxybenzene
  • (R)-4-(2-(Chloromethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene

Work with 4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)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

2-(3-Methoxypropoxy)-4-((R)-2-(bromomethyl)-3-methylbutyl)-1-methoxybenzene172900-69-577 % similar 4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene173336-76-052 % similar Phyllanthin10351-88-951 % similar Aliskiren173334-57-145 % similar 4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone29925-17-543 % similar Aliskiren hemifumarate173334-58-241 % similar Veratryl chloride7306-46-940 % similar Macelignan107534-93-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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