Basic information
- Standard SMILES
Cc1ccc(C2(CS(=O)(=O)c3ccccc3)COC2)cc1O- InChIKey
DVINLUHRAGFXNA-UHFFFAOYSA-N- Molecular formula
- C17H18O4S
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-5-(3-((phenylsulfonyl)methyl)oxetan-3-yl)phenol
- IUPAC
- 5-[3-(benzenesulfonylmethyl)oxetan-3-yl]-2-methylphenol
Names & synonyms
SCHEMBL14660550DVINLUHRAGFXNA-UHFFFAOYSA-N2-methyl-5-(3-((phenylsulfonyl)methyl)oxetan-3-yl)phenol
Database identifiers
- PubChem CID
- 71238997
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Related reactions
2 records
Compound notes
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