2-(3-methyl-4-methylsulfonylphenyl)ethanol

C10H14O3S — CID 117305724

IUPAC2-(3-methyl-4-methylsulfonylphenyl)ethanol
SMILESCc1cc(CCO)ccc1S(C)(=O)=O
InChIInChI=1S/C10H14O3S/c1-8-7-9(5-6-11)3-4-10(8)14(2,12)13/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBRPZCJBJSJLCEI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.93
Rot. Bonds3

About 2-(3-methyl-4-methylsulfonylphenyl)ethanol

2-(3-methyl-4-methylsulfonylphenyl)ethanol (PubChem CID 117305724) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(3-methyl-4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-4-methylsulfonylphenyl)ethanol
PubChem CID117305724
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-(3-methyl-4-methylsulfonylphenyl)ethanol
SMILESCc1cc(CCO)ccc1S(C)(=O)=O
InChIInChI=1S/C10H14O3S/c1-8-7-9(5-6-11)3-4-10(8)14(2,12)13/h3-4,7,11H,5-6H2,1-2H3
InChIKeyBRPZCJBJSJLCEI-UHFFFAOYSA-N
XLogP0.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methanesulfonylphenyl)methanol
CID 22050773
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440
(4-Methanesulfonylphenyl)methanol
CID 3801026
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
Benzo(b)thiophene-3-methanol, 2,3-dihydro-, 1,1-dioxide
CID 119056929
2-[4-(Methylsulfonyl)phenyl]-1-ethanol
CID 22988427
(1S)-1-(4-methylsulfonylphenyl)prop-2-en-1-ol
CID 56676498
(E)-4-(4-methylphenyl)sulfonylbut-3-en-1-ol
CID 11096303
Benzenemethanol, 4-(methylsulfinyl)-
CID 10931858
3-(4-Methylsulfanyl-phenyl)-propan-1-OL
CID 12256607
4-(Methylthio)benzenebutanol
CID 12256608

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(3-methyl-4-methylsulfonylphenyl)ethanol (CID 117305724) is 2-(3-methyl-4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(3-methyl-4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(3-methyl-4-methylsulfonylphenyl)ethanol is Cc1cc(CCO)ccc1S(C)(=O)=O.
What is the InChIKey of 2-(3-methyl-4-methylsulfonylphenyl)ethanol?
The InChIKey is BRPZCJBJSJLCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-8-7-9(5-6-11)3-4-10(8)14(2,12)13/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 2-(3-methyl-4-methylsulfonylphenyl)ethanol?
2-(3-methyl-4-methylsulfonylphenyl)ethanol has a molecular weight of 214.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 117305724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).