2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol

C11H14O3S — CID 14296310

IUPAC2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol
SMILESCC(=CS(=O)(=O)c1ccc(C)cc1)CO
InChIInChI=1S/C11H14O3S/c1-9-3-5-11(6-4-9)15(13,14)8-10(2)7-12/h3-6,8,12H,7H2,1-2H3
InChIKeyYBNGXONFPQKUFG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.66
Rot. Bonds3

About 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol

2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol (PubChem CID 14296310) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol
PubChem CID14296310
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol
SMILESCC(=CS(=O)(=O)c1ccc(C)cc1)CO
InChIInChI=1S/C11H14O3S/c1-9-3-5-11(6-4-9)15(13,14)8-10(2)7-12/h3-6,8,12H,7H2,1-2H3
InChIKeyYBNGXONFPQKUFG-UHFFFAOYSA-N
XLogP1.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 586997
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1-[(1E,3E)-2,3-dimethyl-4-nitrobuta-1,3-dienyl]sulfonyl-4-methylbenzene
CID 15695750
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
1-N',1-N'-dimethyl-2-(4-methylphenyl)sulfonylethene-1,1-diamine
CID 70609984
3-methyl-4-(4-methylphenyl)sulfonylbut-2-en-1-ol
CID 54270848
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
CID 141461209
(E,3S)-1-(4-methylphenyl)sulfonylhex-1-en-3-ol
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(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
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1-[(E)-2-fluoroethenyl]sulfonyl-4-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol?
The IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol (CID 14296310) is 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol is CC(=CS(=O)(=O)c1ccc(C)cc1)CO.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol?
The InChIKey is YBNGXONFPQKUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-9-3-5-11(6-4-9)15(13,14)8-10(2)7-12/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol?
2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol has a molecular weight of 226.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol is sourced from PubChem (CID 14296310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).