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Basic information
- CAS
96939-96-7- Standard SMILES
CS(=O)(=O)c1ccc(OCCO)cc1- InChIKey
GJFJMACPXQCZMA-UHFFFAOYSA-N- Molecular formula
- C9H12O4S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.04563003
Names & identifiers
- Preferred name
- Ethanol, 2-[4-(methylsulfonyl)phenoxy]-
- IUPAC
- 2-(4-methylsulfonylphenoxy)ethanol
Names & synonyms
96939-96-7Ethanol, 2-[4-(methylsulfonyl)phenoxy]-2-(4-Methylsulfonylphenoxy)ethanol2-[4-(methylsulfonyl)phenoxy]ethanolSCHEMBL4390921DTXSID70564740GJFJMACPXQCZMA-UHFFFAOYSA-N2-(4-methanesulfonylphenoxy)ethanolMFCD121481382-[4-(Methanesulfonyl)phenoxy]ethan-1-olA1-05645
Database identifiers
- CAS
96939-96-7- PubChem CID
- 14855255
- DTXSID
DTXSID70564740
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Related reactions
5 records
Compound notes
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