4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-ol

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Basic information

CAS: 893738-57-3
Standard SMILES: CS(=O)(=O)c1ccc(-c2ccccc2O)cc1
InChIKey: XUWAZQRPTYQIMY-UHFFFAOYSA-N
Molecular formula: C13H12O3S
Average molar mass: 248.3 g/mol
Monoisotopic mass: 248.05071541

Names & identifiers

Preferred name: 4'-(Methylsulfonyl)-[1,1'-biphenyl]-2-ol
IUPAC: 2-(4-methylsulfonylphenyl)phenol
English name: 4'-(Methylsulfonyl)[1,1'-biphenyl]-2-ol
Molecular formula: C13H12O3S
Molecular weight: 248.3

Names & synonyms

893738-57-34'-(Methylsulfonyl)-[1,1'-biphenyl]-2-ol2-(4-methylsulfonylphenyl)phenolMFCD068028434'-(Methylsulfonyl)[1,1'-biphenyl]-2-olSCHEMBL8779999DTXSID80602526AKOS0041172422-(4-Methylsulfonylphenyl)phenol, 95%4'-(Methanesulfonyl)[1,1'-biphenyl]-2-olA1-105114AKOS BAR-1741

Database identifiers

CAS: 893738-57-3
PubChem CID: 20100296
DTXSID: DTXSID80602526

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 336

Related reactions

1 records

New reaction record

HRID 1581267As reactantFig 7 data from Golden paper

Compound notes

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