4-(Methylsulfonyl)phenol

C7H8O3SCAS 14763-60-1172.20 g/mol

Open in Covalent MOL file
SOOOH
PhenolSulfone

Properties

Molecular formula
C7H8O3S
Molar mass
172.20 g/mol
Exact mass
172.0194 Da
Melting point
93–94 °C
logP
0.80Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14763-60-1
SMILES
CS(=O)(=O)c1ccc(O)cc1
InChIKey
KECCFSZFXLAGJS-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H3

Weigh it out

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Names and synonyms

7 names
  • Phenol, 4-(methylsulfonyl)-
  • Phenol, p-(methylsulfonyl)-
  • 4-Hydroxyphenyl methyl sulfone
  • p-(Methylsulfonyl)phenol
  • p-Hydroxyphenyl methyl sulfone
  • 4-(Methanesulfonyl)phenol
  • p-(Methanesulfonyl)phenol

Work with 4-(Methylsulfonyl)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

1-Bromo-4-(methylsulphonyl)benzene3466-32-862 % similar Methyl p-tolyl sulfone3185-99-758 % similar p-Tolyl methyl sulfone59203-01-958 % similar Methyl phenyl sulfone3112-85-456 % similar Bisphenol S80-09-156 % similar 4-Fluorophenyl methyl sulfone455-15-256 % similar 4-(Methylsulfonyl)aniline5470-49-556 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Toluenesulfonic acid104-15-4 2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol146796-02-3 Phenyl methanesulfonate16156-59-5 Methyl 3-methoxythiophene-2-carboxylate62353-75-7 Methyl benzenesulfonate80-18-2

Elsewhere

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