1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol

C12H18O3S — CID 116810152

IUPAC1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)c1c(OC)cccc1OC
InChIInChI=1S/C12H18O3S/c1-4-16-8-9(13)12-10(14-2)6-5-7-11(12)15-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyOXAALYGCTKEXSG-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.49
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol

1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol (PubChem CID 116810152) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
PubChem CID116810152
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)c1c(OC)cccc1OC
InChIInChI=1S/C12H18O3S/c1-4-16-8-9(13)12-10(14-2)6-5-7-11(12)15-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyOXAALYGCTKEXSG-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65130437
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(2,6-dimethoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803647
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63016764
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86092021
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol (CID 116810152) is 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol is CCSCC(O)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol?
The InChIKey is OXAALYGCTKEXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-4-16-8-9(13)12-10(14-2)6-5-7-11(12)15-3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol?
1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol has a molecular weight of 242.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-ethylsulfanylethanol is sourced from PubChem (CID 116810152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).