2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol

C11H16O2S — CID 117303285

IUPAC2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol
SMILESCOc1c(C)ccc(SC)c1CCO
InChIInChI=1S/C11H16O2S/c1-8-4-5-10(14-3)9(6-7-12)11(8)13-2/h4-5,12H,6-7H2,1-3H3
InChIKeyFBZMBDXVWLTNNI-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.26
Rot. Bonds4

About 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol

2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol (PubChem CID 117303285) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol
PubChem CID117303285
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol
SMILESCOc1c(C)ccc(SC)c1CCO
InChIInChI=1S/C11H16O2S/c1-8-4-5-10(14-3)9(6-7-12)11(8)13-2/h4-5,12H,6-7H2,1-3H3
InChIKeyFBZMBDXVWLTNNI-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
CID 117327472
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
CID 117289652
2-(2-chloro-6-methoxy-3,5-dimethylphenyl)ethanol
CID 117306109
3-amino-2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)propanoic acid
CID 117391597
2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
6-(3-hydroxypropyl)-2-methoxy-3-methylphenol
CID 117286250
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117382290
triethoxy-[2-(2-methoxy-3,6-dimethylphenyl)ethyl]silane
CID 90121058

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol (CID 117303285) is 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol is COc1c(C)ccc(SC)c1CCO.
What is the InChIKey of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol?
The InChIKey is FBZMBDXVWLTNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8-4-5-10(14-3)9(6-7-12)11(8)13-2/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol?
2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol has a molecular weight of 212.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117303285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).