2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol

C17H20O3S — CID 114980373

IUPAC2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H20O3S/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(7-5-15)21(3,19)20/h4-10,17-18H,11H2,1-3H3
InChIKeyRIKOCHVTNWMRBW-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.98
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol

2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 114980373) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID114980373
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C17H20O3S/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(7-5-15)21(3,19)20/h4-10,17-18H,11H2,1-3H3
InChIKeyRIKOCHVTNWMRBW-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-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol 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

1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 114980284
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
CID 110885160
[2-(3-methylphenyl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105284995
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
CID 110885157
(1S,2R)-1-amino-1-(4-methylsulfonylphenyl)-3-phenylpropan-2-ol
CID 171266575
1-(4-methylsulfonylphenyl)pent-4-yn-1-ol
CID 115799453
2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110899571

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol (CID 114980373) is 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol is Cc1cc(C)cc(CC(O)c2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is RIKOCHVTNWMRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(7-5-15)21(3,19)20/h4-10,17-18H,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol?
2-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol 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-(3,5-dimethylphenyl)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 114980373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).