Basic information
- Standard SMILES
COc1ccc(C(CCCCl)Sc2ccc(C)cc2)cc1OC- InChIKey
DXKGCTLFVFOMBU-UHFFFAOYSA-N- Molecular formula
- C19H23ClO2S
- Average molar mass
- 350.9 g/mol
- Monoisotopic mass
- 350.1107288
Names & identifiers
- Preferred name
- 4-[4-Chloro-1-[(4-methylphenyl)thio]butyl]-1,2-dimethoxybenzene
- IUPAC
- 4-[4-chloro-1-(4-methylphenyl)sulfanylbutyl]-1,2-dimethoxybenzene
Names & synonyms
4-[4-Chloro-1-[(4-methylphenyl)thio]butyl]-1,2-dimethoxybenzene4-[4-Chloro-1-[(4-methylphenyl]thio]butyl]-1,2-dimethoxybenzeneSCHEMBL8794964DXKGCTLFVFOMBU-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 10831736
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 320
Related reactions
3 records
Linked notes
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