2,4-dichloro-1-(methylsulfinylmethoxy)benzene

C8H8Cl2O2S — CID 68577849

IUPAC2,4-dichloro-1-(methylsulfinylmethoxy)benzene
SMILESCS(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2O2S/c1-13(11)5-12-8-3-2-6(9)4-7(8)10/h2-4H,5H2,1H3
InChIKeyNYJOMJVJVSXIRJ-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.71
Rot. Bonds3

About 2,4-dichloro-1-(methylsulfinylmethoxy)benzene

2,4-dichloro-1-(methylsulfinylmethoxy)benzene (PubChem CID 68577849) has the molecular formula C8H8Cl2O2S and a molecular weight of 239.12 g/mol. Its IUPAC name is 2,4-dichloro-1-(methylsulfinylmethoxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(methylsulfinylmethoxy)benzene
PubChem CID68577849
Molecular FormulaC8H8Cl2O2S
Molecular Weight239.12 g/mol
Exact Mass237.96
IUPAC Name2,4-dichloro-1-(methylsulfinylmethoxy)benzene
SMILESCS(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2O2S/c1-13(11)5-12-8-3-2-6(9)4-7(8)10/h2-4H,5H2,1H3
InChIKeyNYJOMJVJVSXIRJ-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(methylsulfinylmethoxy)benzene?
The IUPAC name of 2,4-dichloro-1-(methylsulfinylmethoxy)benzene (CID 68577849) is 2,4-dichloro-1-(methylsulfinylmethoxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(methylsulfinylmethoxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(methylsulfinylmethoxy)benzene is CS(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(methylsulfinylmethoxy)benzene?
The InChIKey is NYJOMJVJVSXIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O2S/c1-13(11)5-12-8-3-2-6(9)4-7(8)10/h2-4H,5H2,1H3.
What are the key properties of 2,4-dichloro-1-(methylsulfinylmethoxy)benzene?
2,4-dichloro-1-(methylsulfinylmethoxy)benzene has a molecular weight of 239.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(methylsulfinylmethoxy)benzene is sourced from PubChem (CID 68577849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).