(S)-3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran

C₁₇H₁₆BrClO₂CAS 915095-89-5367.67 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₇H₁₆BrClO₂
Molar mass: 367.67 g/mol
Exact mass: 366.0022 Da
logP: 4.86Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4
Stereocentres: Sin 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

915095-89-5

SMILES

C1COC[C@H]1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)Br)Cl

InChIKey

HUNLNKBDQXGMAP-INIZCTEOSA-N

InChI

InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)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

1 names

(3S)-3-[4-[(5-Bromo-2-chlorophenyl)methyl]phenoxy]tetrahydrofuran

Work with (S)-3-(4-(5-Bromo-2-chlorobenzyl)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

(3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydrofuran915095-94-273 % similar (5-Bromo-2-chlorophenyl)-(4-((3S)-oxolan-3-YL)oxyphenyl)methanone915095-84-061 % similar 4-Bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene461432-23-558 % similar Empagliflozin864070-44-056 % similar 4-(5-Bromo-2-chlorobenzyl)phenol864070-18-852 % similar Peracetyl empagliflozin915095-99-750 % similar (2-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone915095-87-345 % similar (5-Bromo-2-chlorophenyl)methanol149965-40-240 % similar

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

Elsewhere

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