(5-Bromo-2-chlorophenyl)-(4-((3S)-oxolan-3-YL)oxyphenyl)methanone

C₁₇H₁₄BrClO₃CAS 915095-84-0381.65 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₁₇H₁₄BrClO₃
Molar mass: 381.65 g/mol
Exact mass: 379.9815 Da
logP: 4.50Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
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

915095-84-0

SMILES

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

InChIKey

DGMVPGOZCCHBQI-AWEZNQCLSA-N

InChI

InChI=1S/C17H14BrClO3/c18-12-3-6-16(19)15(9-12)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

1 names

(S)-(5-Bromo-2-chlorophenyl)(4-(tetrahydrofuran-3-yloxy)phenyl)methanone

Work with (5-Bromo-2-chlorophenyl)-(4-((3S)-oxolan-3-YL)oxyphenyl)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

Similar compounds

(2-Chloro-5-iodophenyl)[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methanone915095-87-374 % similar (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone461432-22-462 % similar (S)-3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran915095-89-561 % similar (5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone915095-85-154 % similar (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydrofuran915095-94-247 % similar (5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone1103738-26-643 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-640 % similar 5-Bromo-2-chlorobenzoic acid21739-92-440 % similar

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

Elsewhere

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