Basic information
- CAS
80622-22-6- Standard SMILES
CS(=O)(=O)c1ccc(Oc2ccc(O)cc2)cc1- InChIKey
HZGRFEXXUNXOJK-UHFFFAOYSA-N- Molecular formula
- C13H12O4S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.04562986
Names & identifiers
- Preferred name
- Phenol, 4-(4-(methylsulfonyl)phenoxy)-
- IUPAC
- 4-(4-methylsulfonylphenoxy)phenol
Names & synonyms
Phenol, 4-(4-(methylsulfonyl)phenoxy)-80622-22-6Phenol, 4-[4-(methylsulfonyl)phenoxy]-4-(4-methylsulfonylphenoxy)phenolCHEMBL337651SCHEMBL7937506DTXSID60230442HZGRFEXXUNXOJK-UHFFFAOYSA-N4-(4-(Methylsulfonyl)phenoxy)phenol4-[4-(Methanesulfonyl)phenoxy]phenol
Database identifiers
- CAS
80622-22-6- PubChem CID
- 514882
- DTXSID
DTXSID60230442- ChEMBL
CHEMBL337651
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Related reactions
8 records
Compound notes
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