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

C17H14BrClO3CAS 915095-84-0381.65 g/mol

Open in Covalent MOL file
OOOBrCl
Aryl halideEtherKetone

Properties

Molecular formula
C17H14BrClO3
Molar mass
381.65 g/mol
Exact mass
379.9815 Da
logP
4.50Crippen estimate
Polar surface area
35.5 Ų
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.

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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 (S)-3-[4-(2-Chlor-5-iod-benzyl)-phenoxy]-tetrahydro-furan915095-94-247 % 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.

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