1-(5-methyl-2-methylsulfinylphenyl)ethanol

C10H14O2S — CID 15273157

IUPAC1-(5-methyl-2-methylsulfinylphenyl)ethanol
SMILESCc1ccc(S(C)=O)c(C(C)O)c1
InChIInChI=1S/C10H14O2S/c1-7-4-5-10(13(3)12)9(6-7)8(2)11/h4-6,8,11H,1-3H3
InChIKeyHYMCMSHGYPCJQH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.79
Rot. Bonds2

About 1-(5-methyl-2-methylsulfinylphenyl)ethanol

1-(5-methyl-2-methylsulfinylphenyl)ethanol (PubChem CID 15273157) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(5-methyl-2-methylsulfinylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-2-methylsulfinylphenyl)ethanol
PubChem CID15273157
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-(5-methyl-2-methylsulfinylphenyl)ethanol
SMILESCc1ccc(S(C)=O)c(C(C)O)c1
InChIInChI=1S/C10H14O2S/c1-7-4-5-10(13(3)12)9(6-7)8(2)11/h4-6,8,11H,1-3H3
InChIKeyHYMCMSHGYPCJQH-UHFFFAOYSA-N
XLogP1.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
(1R)-1-(5-methyl-2-nitrophenyl)ethanol
CID 144909779
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol
CID 84669441
2-(1-hydroxyethyl)-5-methylbenzenesulfonic acid
CID 141431944
(1S)-1-(4-methyl-2-nitrophenyl)ethanol
CID 155352153
3-(2,4-dimethylphenyl)sulfinylbutan-2-one
CID 64637617
1-[2-(hydroxyamino)-4-methylphenyl]ethanol
CID 126676933
4-methyl-1-methylsulfinyl-2-(trifluoromethoxy)benzene
CID 70910460
2-[(1S)-1-hydroxyethyl]-5-methylbenzonitrile
CID 130685833
1-[2-(2-hydroxyethyl)-4-methylphenyl]ethanol
CID 23401794
(1R)-1-(2-methylsulfinylphenyl)ethanamine
CID 130655074

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-methylsulfinylphenyl)ethanol?
The IUPAC name of 1-(5-methyl-2-methylsulfinylphenyl)ethanol (CID 15273157) is 1-(5-methyl-2-methylsulfinylphenyl)ethanol.
What is the SMILES notation for 1-(5-methyl-2-methylsulfinylphenyl)ethanol?
The canonical SMILES for 1-(5-methyl-2-methylsulfinylphenyl)ethanol is Cc1ccc(S(C)=O)c(C(C)O)c1.
What is the InChIKey of 1-(5-methyl-2-methylsulfinylphenyl)ethanol?
The InChIKey is HYMCMSHGYPCJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7-4-5-10(13(3)12)9(6-7)8(2)11/h4-6,8,11H,1-3H3.
What are the key properties of 1-(5-methyl-2-methylsulfinylphenyl)ethanol?
1-(5-methyl-2-methylsulfinylphenyl)ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-methylsulfinylphenyl)ethanol is sourced from PubChem (CID 15273157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).