4-[4-Chloro-1-[(4-methylphenyl)thio]butyl]-1,2-dimethoxybenzene

HCID 10831736

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

Related reactions

3 records

Linked notes

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