2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol

C11H16OS — CID 117286493

IUPAC2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol
SMILESCSc1cc(C(C)CO)ccc1C
InChIInChI=1S/C11H16OS/c1-8-4-5-10(9(2)7-12)6-11(8)13-3/h4-6,9,12H,7H2,1-3H3
InChIKeyUXPZMNDGCGPPJN-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.81
Rot. Bonds3

About 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol

2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol (PubChem CID 117286493) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol
PubChem CID117286493
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol
SMILESCSc1cc(C(C)CO)ccc1C
InChIInChI=1S/C11H16OS/c1-8-4-5-10(9(2)7-12)6-11(8)13-3/h4-6,9,12H,7H2,1-3H3
InChIKeyUXPZMNDGCGPPJN-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
ethane;(4-methyl-3-methylsulfanylphenyl)methanol
CID 143859740
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-(3-methylphenyl)propan-1-ol
CID 21478686
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
2-(4-bromo-3-fluorophenyl)propan-1-ol
CID 117337341
4-(3,4-dimethylphenyl)pentane-1,2-diol
CID 83927966
2-bromo-1-(4-methyl-3-methylsulfanylphenyl)ethanone
CID 12850094
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
2-(4-iodophenyl)propan-1-ol
CID 118041609
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
CID 105425131

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol (CID 117286493) is 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol is CSc1cc(C(C)CO)ccc1C.
What is the InChIKey of 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol?
The InChIKey is UXPZMNDGCGPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-4-5-10(9(2)7-12)6-11(8)13-3/h4-6,9,12H,7H2,1-3H3.
What are the key properties of 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol?
2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 117286493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).