1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol

C11H16OS — CID 117286502

IUPAC1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc(C)c(CC(C)O)c1
InChIInChI=1S/C11H16OS/c1-8-4-5-11(13-3)7-10(8)6-9(2)12/h4-5,7,9,12H,6H2,1-3H3
InChIKeyOCIOCFBGUOSFNL-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol

1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol (PubChem CID 117286502) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol
PubChem CID117286502
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccc(C)c(CC(C)O)c1
InChIInChI=1S/C11H16OS/c1-8-4-5-11(13-3)7-10(8)6-9(2)12/h4-5,7,9,12H,6H2,1-3H3
InChIKeyOCIOCFBGUOSFNL-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol (CID 117286502) is 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol is CSc1ccc(C)c(CC(C)O)c1.
What is the InChIKey of 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol?
The InChIKey is OCIOCFBGUOSFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-4-5-11(13-3)7-10(8)6-9(2)12/h4-5,7,9,12H,6H2,1-3H3.
What are the key properties of 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol?
1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol has a molecular weight of 196.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 117286502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).