4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene

C10H12Cl2O3S — CID 104546377

IUPAC4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)CS(C)(=O)=O
InChIInChI=1S/C10H12Cl2O3S/c1-15-10-4-3-7(11)5-8(10)9(12)6-16(2,13)14/h3-5,9H,6H2,1-2H3
InChIKeyXXMKSJFXOMCDSM-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene

4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene (PubChem CID 104546377) has the molecular formula C10H12Cl2O3S and a molecular weight of 283.18 g/mol. Its IUPAC name is 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene
PubChem CID104546377
Molecular FormulaC10H12Cl2O3S
Molecular Weight283.18 g/mol
Exact Mass281.99
IUPAC Name4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)CS(C)(=O)=O
InChIInChI=1S/C10H12Cl2O3S/c1-15-10-4-3-7(11)5-8(10)9(12)6-16(2,13)14/h3-5,9H,6H2,1-2H3
InChIKeyXXMKSJFXOMCDSM-UHFFFAOYSA-N
XLogP2.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 115790708
1-(5-chloro-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 115780241
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
1-(5-chloro-2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 112688271
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene?
The IUPAC name of 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene (CID 104546377) is 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene is COc1ccc(Cl)cc1C(Cl)CS(C)(=O)=O.
What is the InChIKey of 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene?
The InChIKey is XXMKSJFXOMCDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3S/c1-15-10-4-3-7(11)5-8(10)9(12)6-16(2,13)14/h3-5,9H,6H2,1-2H3.
What are the key properties of 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene?
4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene has a molecular weight of 283.18 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene is sourced from PubChem (CID 104546377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).