chempirical

4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenol

C15H16O4SCAS 95235-30-6292.35 g/mol

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OSOOOH
EtherPhenolSulfone

Properties

Molecular formula
C15H16O4S
Molar mass
292.35 g/mol
Exact mass
292.0769 Da
logP
3.01Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
95235-30-6
SMILES
CC(C)Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIKey
ZTILAOCGFRDHBH-UHFFFAOYSA-N
InChI
InChI=1S/C15H16O4S/c1-11(2)19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h3-11,16H,1-2H3

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Names and synonyms

9 names
  • Phenol, 4-[[4-(1-methylethoxy)phenyl]sulfonyl]-
  • 4-Isopropoxy-4′-hydroxydiphenyl sulfone
  • 4-Hydroxy-4′-isopropoxydiphenyl sulfone
  • D 8 (Sulfone)
  • D 8
  • 4-Hydroxyphenyl 4-isopropoxyphenyl sulfone
  • F 647
  • 4-Hydroxy-4′-isopropoxy phenyl sulfone
  • NYDS

Work with 4-[[4-(1-Methylethoxy)phenyl]sulfonyl]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

Bisphenol S80-09-160 % similar 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol63134-33-850 % similar 1,4-Diisopropoxybenzene7495-78-550 % similar 2-(4-Hydroxyphenoxy)propionic acid67648-61-745 % similar (2R)-2-(4-Hydroxyphenoxy)propanoic acid94050-90-545 % similar 4-(1-Methylethoxy)benzoic acid13205-46-443 % similar 2-[(4-Hydroxyphenyl)sulfonyl]phenol5397-34-243 % similar 4-Isopropoxybenzaldehyde18962-05-542 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook