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

C17H14ClIO3CAS 915095-87-3428.65 g/mol

Open in Covalent MOL file
OOOICl
Aryl halideEtherKetone

Properties

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

Hazards

Not classified as hazardous under GHS by 110 ECHA notifiers. Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

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

Similar compounds

(5-Bromo-2-chlorophenyl)-(4-((3S)-oxolan-3-YL)oxyphenyl)methanone915095-84-074 % similar (5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone1103738-26-662 % similar (S)-3-[4-(2-Chlor-5-iod-benzyl)-phenoxy]-tetrahydro-furan915095-94-260 % similar (2-Chlor-5-iod-phenyl)-(4-fluoro-phenyl)-methanone915095-86-254 % similar (S)-3-(4-(5-Bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran915095-89-545 % similar (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone461432-22-443 % similar 2-Chloro-5-iodobenzoic acid19094-56-540 % similar Peracetyl empagliflozin915095-99-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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