4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene

C12H17ClO3S — CID 106732640

IUPAC4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene
SMILESCc1ccc(Cl)cc1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H17ClO3S/c1-9(2)17(14,15)7-6-16-12-8-11(13)5-4-10(12)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZOYKARPCJPKRQV-UHFFFAOYSA-N
MW276.78 g/mol
LogP2.85
Rot. Bonds5

About 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene

4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene (PubChem CID 106732640) has the molecular formula C12H17ClO3S and a molecular weight of 276.78 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene.

Molecular Properties

Compound Name4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene
PubChem CID106732640
Molecular FormulaC12H17ClO3S
Molecular Weight276.78 g/mol
Exact Mass276.06
IUPAC Name4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene
SMILESCc1ccc(Cl)cc1OCCS(=O)(=O)C(C)C
InChIInChI=1S/C12H17ClO3S/c1-9(2)17(14,15)7-6-16-12-8-11(13)5-4-10(12)3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZOYKARPCJPKRQV-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.78
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732643
5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721632
5-chloro-2-(2-propan-2-ylsulfonylethoxy)benzoic acid
CID 106721771
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
2,3-dimethyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722847
2-methyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722837
4-(4-chlorobut-1-ynyl)-2-methyl-1-(2-propan-2-ylsulfonylethoxy)benzene
CID 106728229
N-[[3-chloro-4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722159
4-(bromomethyl)-2-fluoro-1-(2-propan-2-ylsulfonylethoxy)benzene
CID 107691560
3,5-dimethyl-4-(2-propan-2-ylsulfonylethoxy)benzonitrile
CID 106724797
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
CID 106722446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene?
The IUPAC name of 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene (CID 106732640) is 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene.
What is the SMILES notation for 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene?
The canonical SMILES for 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene is Cc1ccc(Cl)cc1OCCS(=O)(=O)C(C)C.
What is the InChIKey of 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene?
The InChIKey is ZOYKARPCJPKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3S/c1-9(2)17(14,15)7-6-16-12-8-11(13)5-4-10(12)3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene?
4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene has a molecular weight of 276.78 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene is sourced from PubChem (CID 106732640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).