3-[3-(5-Chloro-2-methoxyphenylsulfonyloxy)-5-methylphenoxy]propanol
Basic information
- Standard SMILES
COc1ccc(Cl)cc1S(=O)(=O)Oc1cc(C)cc(OCCCO)c1- InChIKey
OGSFTVYKYGBKOM-UHFFFAOYSA-N- Molecular formula
- C17H19ClO6S
- Average molar mass
- 386.8 g/mol
Names & identifiers
- Preferred name
- 3-[3-(5-Chloro-2-methoxyphenylsulfonyloxy)-5-methylphenoxy]propanol
- IUPAC
- [3-(3-hydroxypropoxy)-5-methylphenyl] 5-chloro-2-methoxybenzenesulfonate
Names & synonyms
SCHEMBL5672970OGSFTVYKYGBKOM-UHFFFAOYSA-N3-[3-(5-Chloro-2-methoxyphenylsulfonyloxy)-5-methylphenoxy]propanol
Database identifiers
- PubChem CID
- 22722452
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
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Related reactions
4 records
Compound notes
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