2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol

C11H16OS — CID 60879363

IUPAC2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(C)(C)O)cc1
InChIInChI=1S/C11H16OS/c1-9-4-6-10(7-5-9)13-8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKeyNFEOYGNTHRELPD-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol

2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 60879363) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID60879363
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(C)(C)O)cc1
InChIInChI=1S/C11H16OS/c1-9-4-6-10(7-5-9)13-8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKeyNFEOYGNTHRELPD-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4-methylphenyl)sulfanylpropan-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-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol (CID 60879363) is 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is NFEOYGNTHRELPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-4-6-10(7-5-9)13-8-11(2,3)12/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol?
2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 196.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 60879363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).