2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol

C11H16O3S — CID 19066239

IUPAC2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol
SMILESCC(C)(O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16O3S/c1-11(2,12)8-9-4-6-10(7-5-9)15(3,13)14/h4-7,12H,8H2,1-3H3
InChIKeyZYMLMBSEEIZLLT-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol

2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol (PubChem CID 19066239) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol
PubChem CID19066239
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol
SMILESCC(C)(O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H16O3S/c1-11(2,12)8-9-4-6-10(7-5-9)15(3,13)14/h4-7,12H,8H2,1-3H3
InChIKeyZYMLMBSEEIZLLT-UHFFFAOYSA-N
XLogP1.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
CID 116928680
2-methyl-6-(4-methylsulfonylphenyl)hexan-2-ol
CID 98018337
1-[4-[4-(2-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-2-ol
CID 126511396
2-[(2-methylpropan-2-yl)oxy]-2-[(4-methylsulfonylphenyl)methyl]propanedioic acid
CID 135197357
1-(4-amino-3-methylsulfonylphenyl)-2-methylpropan-2-ol
CID 116998659
1-ethyl-4-methylsulfonylbenzene
CID 143759723
1-amino-2-(4-methylsulfonylphenyl)propan-2-ol
CID 62773186
2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 96676880
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 115902733
2-(4-methylsulfonylphenyl)ethanethioamide
CID 83969581
[(2R)-4,4,4-trifluoro-2-methyl-1-(4-methylsulfonylphenyl)butan-2-yl] 2-chloroacetate
CID 57040335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol (CID 19066239) is 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol is CC(C)(O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol?
The InChIKey is ZYMLMBSEEIZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-11(2,12)8-9-4-6-10(7-5-9)15(3,13)14/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol?
2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol has a molecular weight of 228.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 19066239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).