(3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydrofuran

C₁₇H₁₆ClIO₂CAS 915095-94-2414.67 g/mol

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Aryl halide Ether

Properties

Molecular formula: C₁₇H₁₆ClIO₂
Molar mass: 414.67 g/mol
Exact mass: 413.9884 Da
logP: 4.70Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

915095-94-2

SMILES

Clc1ccc(I)cc1Cc1ccc(O[C@H]2CCOC2)cc1

InChIKey

YLUHNGIWRCCQMQ-INIZCTEOSA-N

InChI

InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1

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Names and synonyms

3 names

Furan, 3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-, (3S)-
(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
(3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]oxolane

Work with (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydrofuran

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-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone915095-87-360 % similar 4-Iodo-1-chloro-2-(4-ethoxybenzyl)benzene1103738-29-959 % similar Empagliflozin864070-44-056 % similar 4-Bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene461432-23-540 % similar 1,2-Dichloro-4-iodobenzene20555-91-333 % similar Sotagliflozin1018899-04-133 % similar Dapagliflozin461432-26-833 % similar (5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone1103738-26-632 % similar

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

Elsewhere

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