1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol

C13H20O3S — CID 114979613

IUPAC1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCc1cc(C)cc(C(O)C(C)(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H20O3S/c1-9-6-10(2)8-11(7-9)12(14)13(3,4)17(5,15)16/h6-8,12,14H,1-5H3
InChIKeyMKMTVWNHEPAXNR-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.16
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol

1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol (PubChem CID 114979613) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
PubChem CID114979613
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCc1cc(C)cc(C(O)C(C)(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H20O3S/c1-9-6-10(2)8-11(7-9)12(14)13(3,4)17(5,15)16/h6-8,12,14H,1-5H3
InChIKeyMKMTVWNHEPAXNR-UHFFFAOYSA-N
XLogP2.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropan-1-ol
CID 115826577
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 102764411
2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 112575182
(1R,2S)-1,2-bis(3,5-dimethylphenyl)ethane-1,2-diol
CID 102316400
2-chloro-1-(4-methylphenyl)-2-methylsulfonylpropan-1-ol
CID 102550305
2-methyl-2-methylsulfonyl-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115829152
1-(3,5-dimethylphenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115800160
1-(2,6-dimethoxyphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115838545
1-(4-bromo-2,5-dimethoxyphenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 105057055
1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752542
tetrakis((3,5-dimethylphenyl)methanediol);titanium;dihydrate
CID 168793686
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol (CID 114979613) is 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol is Cc1cc(C)cc(C(O)C(C)(C)S(C)(=O)=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The InChIKey is MKMTVWNHEPAXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-9-6-10(2)8-11(7-9)12(14)13(3,4)17(5,15)16/h6-8,12,14H,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol has a molecular weight of 256.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 114979613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).