2-(4-propan-2-ylsulfonylphenyl)ethanol

C11H16O3S — CID 69406011

IUPAC2-(4-propan-2-ylsulfonylphenyl)ethanol
SMILESCC(C)S(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C11H16O3S/c1-9(2)15(13,14)11-5-3-10(4-6-11)7-8-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCMPBQFJMMZNIOC-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.40
Rot. Bonds4

About 2-(4-propan-2-ylsulfonylphenyl)ethanol

2-(4-propan-2-ylsulfonylphenyl)ethanol (PubChem CID 69406011) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylphenyl)ethanol
PubChem CID69406011
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-(4-propan-2-ylsulfonylphenyl)ethanol
SMILESCC(C)S(=O)(=O)c1ccc(CCO)cc1
InChIInChI=1S/C11H16O3S/c1-9(2)15(13,14)11-5-3-10(4-6-11)7-8-12/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCMPBQFJMMZNIOC-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol
CID 115229349
N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
CID 110790782
1-pent-3-ynyl-4-propan-2-ylsulfonylbenzene
CID 83927091
2-(4-propan-2-ylsulfonylphenyl)acetonitrile
CID 82473214
1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
CID 110790785
1-(2,2-dimethylpropyl)-3-[2-(4-propan-2-ylsulfonylphenyl)ethyl]urea
CID 110776126
propan-2-yl 2-(4-propan-2-ylsulfonylphenyl)acetate
CID 82550592
2-[4-(methylsulfonylmethyl)phenyl]ethanol
CID 117305726
[(4-propan-2-ylsulfonylphenyl)methylamino]methanethiol
CID 115227962
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)ethanol?
The IUPAC name of 2-(4-propan-2-ylsulfonylphenyl)ethanol (CID 69406011) is 2-(4-propan-2-ylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(4-propan-2-ylsulfonylphenyl)ethanol is CC(C)S(=O)(=O)c1ccc(CCO)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylphenyl)ethanol?
The InChIKey is CMPBQFJMMZNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-9(2)15(13,14)11-5-3-10(4-6-11)7-8-12/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfonylphenyl)ethanol?
2-(4-propan-2-ylsulfonylphenyl)ethanol has a molecular weight of 228.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylphenyl)ethanol is sourced from PubChem (CID 69406011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).