(2-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone

C₁₇H₁₄ClIO₃CAS 915095-87-3428.65 g/mol

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Aryl halide Ether Ketone

Properties

Molecular formula: C₁₇H₁₄ClIO₃
Molar mass: 428.65 g/mol
Exact mass: 427.9676 Da
logP: 4.34Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

915095-87-3

SMILES

O=C(c1ccc(O[C@H]2CCOC2)cc1)c1cc(I)ccc1Cl

InChIKey

WBBJCIOCSVFCNI-AWEZNQCLSA-N

InChI

InChI=1S/C17H14ClIO3/c18-16-6-3-12(19)9-15(16)17(20)11-1-4-13(5-2-11)22-14-7-8-21-10-14/h1-6,9,14H,7-8,10H2/t14-/m0/s1

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Names and synonyms

3 names

Methanone, (2-chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]-
(2-Chloro-5-iodophenyl)-[4-[(3S)-oxolan-3-yl]oxyphenyl]methanone
(S)-(2-Chloro-5-iodophenyl)(4-((tetrahydrofuran-3-yl)oxy)phenyl)methanone

Work with (2-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone

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

Elsewhere

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