Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2Cc3cccc(-c4ccccc4)c3O2)cc1- InChIKey
HXILSTYNRSQHTD-UHFFFAOYSA-N- Molecular formula
- C22H20O4S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.10823029
Names & identifiers
- Preferred name
- (+/-)-(7-Phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate
- IUPAC
- (7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL4229762HXILSTYNRSQHTD-UHFFFAOYSA-N(+/-)-(7-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 86599080
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 570
Related reactions
4 records
Compound notes
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