2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol

C11H16O2S — CID 117303266

IUPAC2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
SMILESCOc1cccc(SC)c1C(C)CO
InChIInChI=1S/C11H16O2S/c1-8(7-12)11-9(13-2)5-4-6-10(11)14-3/h4-6,8,12H,7H2,1-3H3
InChIKeyXIPQGMCBEWKMTA-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.51
Rot. Bonds4

About 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol

2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol (PubChem CID 117303266) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
PubChem CID117303266
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
SMILESCOc1cccc(SC)c1C(C)CO
InChIInChI=1S/C11H16O2S/c1-8(7-12)11-9(13-2)5-4-6-10(11)14-3/h4-6,8,12H,7H2,1-3H3
InChIKeyXIPQGMCBEWKMTA-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(fluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 117287951
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
CID 117286277
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
2-(2,6-dimethoxyphenyl)-2-trimethylsilylethanol
CID 175454438
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-ol
CID 117300712

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol (CID 117303266) is 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol is COc1cccc(SC)c1C(C)CO.
What is the InChIKey of 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol?
The InChIKey is XIPQGMCBEWKMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8(7-12)11-9(13-2)5-4-6-10(11)14-3/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol?
2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol has a molecular weight of 212.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 117303266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).