2-(3-propan-2-ylphenyl)sulfonylethanol

C11H16O3S — CID 90145821

IUPAC2-(3-propan-2-ylphenyl)sulfonylethanol
SMILESCC(C)c1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C11H16O3S/c1-9(2)10-4-3-5-11(8-10)15(13,14)7-6-12/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyWRUOUJPRSDQDGG-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-propan-2-ylphenyl)sulfonylethanol

2-(3-propan-2-ylphenyl)sulfonylethanol (PubChem CID 90145821) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(3-propan-2-ylphenyl)sulfonylethanol
PubChem CID90145821
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-(3-propan-2-ylphenyl)sulfonylethanol
SMILESCC(C)c1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C11H16O3S/c1-9(2)10-4-3-5-11(8-10)15(13,14)7-6-12/h3-5,8-9,12H,6-7H2,1-2H3
InChIKeyWRUOUJPRSDQDGG-UHFFFAOYSA-N
XLogP1.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylsulfonyl-3-propan-2-ylbenzene
CID 126760572
1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665964
ethane;1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
CID 176665963
2-(3-ethylphenyl)sulfonylethanol
CID 71143156
ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane
CID 142264931
1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
CID 66838699
1-tert-butylsulfonyl-3-propan-2-ylbenzene
CID 155313432
2-(dibutylamino)ethanol;3-propan-2-ylbenzenesulfonic acid
CID 71655953
2-amino-1-(3-propylsulfonylphenyl)butane-1,4-diol
CID 83926687
2-(3-hydrazinylphenyl)sulfonylethanol
CID 18959871
[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol
CID 176640011
1-pent-4-en-2-yl-3-propylsulfonylbenzene
CID 83926744

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenyl)sulfonylethanol?
The IUPAC name of 2-(3-propan-2-ylphenyl)sulfonylethanol (CID 90145821) is 2-(3-propan-2-ylphenyl)sulfonylethanol.
What is the SMILES notation for 2-(3-propan-2-ylphenyl)sulfonylethanol?
The canonical SMILES for 2-(3-propan-2-ylphenyl)sulfonylethanol is CC(C)c1cccc(S(=O)(=O)CCO)c1.
What is the InChIKey of 2-(3-propan-2-ylphenyl)sulfonylethanol?
The InChIKey is WRUOUJPRSDQDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-9(2)10-4-3-5-11(8-10)15(13,14)7-6-12/h3-5,8-9,12H,6-7H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylphenyl)sulfonylethanol?
2-(3-propan-2-ylphenyl)sulfonylethanol has a molecular weight of 228.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenyl)sulfonylethanol is sourced from PubChem (CID 90145821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).