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

C17H20O3S — CID 102528477

IUPAC2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(C(C)(O)CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O3S/c1-13-4-8-15(9-5-13)17(3,18)12-21(19,20)16-10-6-14(2)7-11-16/h4-11,18H,12H2,1-3H3
InChIKeyDWYIYMPSNGKIAD-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.98
Rot. Bonds4

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

2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol (PubChem CID 102528477) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
PubChem CID102528477
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol
SMILESCc1ccc(C(C)(O)CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O3S/c1-13-4-8-15(9-5-13)17(3,18)12-21(19,20)16-10-6-14(2)7-11-16/h4-11,18H,12H2,1-3H3
InChIKeyDWYIYMPSNGKIAD-UHFFFAOYSA-N
XLogP2.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
The IUPAC name of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol (CID 102528477) is 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
The canonical SMILES for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol is Cc1ccc(C(C)(O)CS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
The InChIKey is DWYIYMPSNGKIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-13-4-8-15(9-5-13)17(3,18)12-21(19,20)16-10-6-14(2)7-11-16/h4-11,18H,12H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol?
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol has a molecular weight of 304.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 102528477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).