2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol

C10H13ClO3S — CID 71972662

IUPAC2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol
SMILESO=S(=O)(CCO)CCc1ccccc1Cl
InChIInChI=1S/C10H13ClO3S/c11-10-4-2-1-3-9(10)5-7-15(13,14)8-6-12/h1-4,12H,5-8H2
InChIKeyWYPYIJVINCJIAK-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol

2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol (PubChem CID 71972662) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol
PubChem CID71972662
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol
SMILESO=S(=O)(CCO)CCc1ccccc1Cl
InChIInChI=1S/C10H13ClO3S/c11-10-4-2-1-3-9(10)5-7-15(13,14)8-6-12/h1-4,12H,5-8H2
InChIKeyWYPYIJVINCJIAK-UHFFFAOYSA-N
XLogP1.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol?
The IUPAC name of 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol (CID 71972662) is 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol is O=S(=O)(CCO)CCc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol?
The InChIKey is WYPYIJVINCJIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c11-10-4-2-1-3-9(10)5-7-15(13,14)8-6-12/h1-4,12H,5-8H2.
What are the key properties of 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol?
2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol has a molecular weight of 248.73 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethylsulfonyl]ethanol is sourced from PubChem (CID 71972662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).