chempirical

2,4-Bis(phenylsulfonyl)phenol

C18H14O5S2CAS 177325-75-6374.43 g/mol

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PhenolSulfone

Properties

Molecular formula
C18H14O5S2
Molar mass
374.43 g/mol
Exact mass
374.0283 Da
logP
3.06Crippen estimate
Polar surface area
88.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

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
177325-75-6
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3
InChIKey
LCJQCYQTWIAJBE-UHFFFAOYSA-N
InChI
InChI=1S/C18H14O5S2/c19-17-12-11-16(24(20,21)14-7-3-1-4-8-14)13-18(17)25(22,23)15-9-5-2-6-10-15/h1-13,19H

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Work with 2,4-Bis(phenylsulfonyl)phenol

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

2,4'-Dihydroxydiphenyl sulfone5397-34-257 % similar Diphenyl sulfone127-63-954 % similar ABPS7545-50-851 % similar 3,3′-Sulfonylbis[phenol]46765-03-147 % similar 4-Chlorophenyl phenyl sulfone80-00-247 % similar 2-(Phenylsulfonyl)aniline4273-98-744 % similar Bisphenol S80-09-144 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-843 % similar

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

Elsewhere

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