Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCC(C)(O)c2ccccc2)cc1- InChIKey
MVIVGEHKALBPLQ-UHFFFAOYSA-N- Molecular formula
- C17H20O4S
- Average molar mass
- 320.4 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-3-phenylbutyl 4-methylbenzenesulfonate
- IUPAC
- (3-hydroxy-3-phenylbutyl) 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL955492MVIVGEHKALBPLQ-UHFFFAOYSA-N3-hydroxy-3-phenylbutyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 53474285
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
7 records
Compound notes
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