2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol

C12H18O3S — CID 117113885

IUPAC2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CCS(C)(=O)=O)cc1
InChIInChI=1S/C12H18O3S/c1-12(2,13)11-6-4-10(5-7-11)8-9-16(3,14)15/h4-7,13H,8-9H2,1-3H3
InChIKeyBPIMGKWEKLJHSY-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.50
Rot. Bonds4

About 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol

2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol (PubChem CID 117113885) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol
PubChem CID117113885
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(CCS(C)(=O)=O)cc1
InChIInChI=1S/C12H18O3S/c1-12(2,13)11-6-4-10(5-7-11)8-9-16(3,14)15/h4-7,13H,8-9H2,1-3H3
InChIKeyBPIMGKWEKLJHSY-UHFFFAOYSA-N
XLogP1.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[4-(2-hydroxypropan-2-yl)phenyl]butyl]phenyl]propan-2-ol
CID 129085386
ethane;1-methyl-4-(2-methylsulfonylethyl)benzene
CID 143460144
[4-(2-hydroxypropan-2-yl)phenyl] methanesulfonate
CID 117332636
1-tert-butyl-4-(3-phenylpropylsulfonylmethyl)benzene
CID 52541496
4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 68722995
(E)-3-[4-(2-methylsulfonylethyl)phenyl]prop-2-en-1-amine
CID 115111051
1-[4-(2-methylsulfonylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114132
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
1-(4-tert-butylphenyl)-3-methylsulfonylpropan-1-one
CID 114969556
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722
2-[4-(pyridin-4-ylmethyl)phenyl]propan-2-ol
CID 90901602
1-[[4-(2-methylsulfonylethyl)phenyl]methyl]piperazine
CID 117111643

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol (CID 117113885) is 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol is CC(C)(O)c1ccc(CCS(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol?
The InChIKey is BPIMGKWEKLJHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-12(2,13)11-6-4-10(5-7-11)8-9-16(3,14)15/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol?
2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol has a molecular weight of 242.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfonylethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117113885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).