Toluene-4-sulfonic acid (s)-2-hydroxy-4-phenylbutyl ester

HCID 11209409
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)OC[C@@H](O)CCc2ccccc2)cc1
InChIKey
MPSYBFGRIDGDMF-INIZCTEOSA-N
Molecular formula
C17H20O4S
Average molar mass
320.4 g/mol

Names & identifiers

Preferred name
Toluene-4-sulfonic acid (s)-2-hydroxy-4-phenylbutyl ester
IUPAC
[(2S)-2-hydroxy-4-phenylbutyl] 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL2076247MPSYBFGRIDGDMF-INIZCTEOSA-Ntoluene-4-sulfonic acid (s)-2-hydroxy-4-phenylbutyl ester

Database identifiers

PubChem CID
11209409

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
72 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

Loading…