2-(4-methylsulfonylphenyl)oxiran-2-ol

C9H10O4S — CID 139947405

IUPAC2-(4-methylsulfonylphenyl)oxiran-2-ol
SMILESCS(=O)(=O)c1ccc(C2(O)CO2)cc1
InChIInChI=1S/C9H10O4S/c1-14(11,12)8-4-2-7(3-5-8)9(10)6-13-9/h2-5,10H,6H2,1H3
InChIKeyOZZNIMRTMGQUNB-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.27
Rot. Bonds2

About 2-(4-methylsulfonylphenyl)oxiran-2-ol

2-(4-methylsulfonylphenyl)oxiran-2-ol (PubChem CID 139947405) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)oxiran-2-ol.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)oxiran-2-ol
PubChem CID139947405
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(4-methylsulfonylphenyl)oxiran-2-ol
SMILESCS(=O)(=O)c1ccc(C2(O)CO2)cc1
InChIInChI=1S/C9H10O4S/c1-14(11,12)8-4-2-7(3-5-8)9(10)6-13-9/h2-5,10H,6H2,1H3
InChIKeyOZZNIMRTMGQUNB-UHFFFAOYSA-N
XLogP0.27
TPSA66.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[3-(4-methylsulfonylphenyl)oxetan-3-yl]hydrazine
CID 116876306
3-(chloromethyl)-3-(4-methylsulfonylphenyl)oxetane
CID 116871432
(2R,4S,5R)-4-hydroxy-4,5-bis(4-methylsulfonylphenyl)oxolane-2-carboxylic acid
CID 25188734
4-(4-methylsulfonylphenyl)bicyclo[2.2.2]octan-1-amine
CID 58930118
2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane
CID 66336733
bis(4-methylsulfonylphenyl)diazene
CID 14045605
N-methyl-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121496267
1-(4-methylsulfonylphenyl)cyclobutane-1-carbonitrile
CID 66748522
methyl 2,3-dimethyl-3-(4-methylsulfonylphenyl)oxirane-2-carboxylate
CID 66436518
1-[(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]ethanone
CID 67953738
[1-(4-methylsulfonylphenyl)cyclobutyl]-(1-oxa-7-azaspiro[3.5]nonan-7-yl)methanone
CID 118796209
2-chloro-N-[3-(4-methylsulfonylphenyl)oxolan-3-yl]acetamide
CID 146107312

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)oxiran-2-ol?
The IUPAC name of 2-(4-methylsulfonylphenyl)oxiran-2-ol (CID 139947405) is 2-(4-methylsulfonylphenyl)oxiran-2-ol.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)oxiran-2-ol?
The canonical SMILES for 2-(4-methylsulfonylphenyl)oxiran-2-ol is CS(=O)(=O)c1ccc(C2(O)CO2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)oxiran-2-ol?
The InChIKey is OZZNIMRTMGQUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c1-14(11,12)8-4-2-7(3-5-8)9(10)6-13-9/h2-5,10H,6H2,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)oxiran-2-ol?
2-(4-methylsulfonylphenyl)oxiran-2-ol has a molecular weight of 214.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)oxiran-2-ol is sourced from PubChem (CID 139947405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).