2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol

C11H16O3S — CID 14640298

IUPAC2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
SMILESCc1ccc(S(=O)(=O)CC(C)CO)cc1
InChIInChI=1S/C11H16O3S/c1-9-3-5-11(6-4-9)15(13,14)8-10(2)7-12/h3-6,10,12H,7-8H2,1-2H3
InChIKeyXGXRKRMJHKPUOK-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.40
Rot. Bonds4

About 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol

2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol (PubChem CID 14640298) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
PubChem CID14640298
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
SMILESCc1ccc(S(=O)(=O)CC(C)CO)cc1
InChIInChI=1S/C11H16O3S/c1-9-3-5-11(6-4-9)15(13,14)8-10(2)7-12/h3-6,10,12H,7-8H2,1-2H3
InChIKeyXGXRKRMJHKPUOK-UHFFFAOYSA-N
XLogP1.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
p-Tolyl methyl sulfone
CID 18521
(4-Tolylsulphonyl)acetic acid
CID 77538
Isobutyl p-toluenesulfonate
CID 310590
Methanol, 1-[(4-methylphenyl)sulfonyl]-
CID 75131
(p-Tolylsulphonyl)acetone
CID 79327
Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
Acetic acid, thio-, S,S'-(2-hydroxytrimethylene) ester, p-toluenesulfonate
CID 55328
3-(4-Methylbenzenesulfonyl)propanoic acid
CID 780814

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol?
The IUPAC name of 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol (CID 14640298) is 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol is Cc1ccc(S(=O)(=O)CC(C)CO)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol?
The InChIKey is XGXRKRMJHKPUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-9-3-5-11(6-4-9)15(13,14)8-10(2)7-12/h3-6,10,12H,7-8H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol?
2-methyl-3-(4-methylphenyl)sulfonylpropan-1-ol has a molecular weight of 228.31 g/mol, XLogP of 1.40, 4 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)sulfonylpropan-1-ol is sourced from PubChem (CID 14640298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).