1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol

C12H18O2S — CID 103433114

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1c(C(O)CSC)ccc(C)c1C
InChIInChI=1S/C12H18O2S/c1-8-5-6-10(11(13)7-15-4)12(14-3)9(8)2/h5-6,11,13H,7H2,1-4H3
InChIKeyZWPMXVHLUULXQF-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.71
Rot. Bonds4

About 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol

1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol (PubChem CID 103433114) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
PubChem CID103433114
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1c(C(O)CSC)ccc(C)c1C
InChIInChI=1S/C12H18O2S/c1-8-5-6-10(11(13)7-15-4)12(14-3)9(8)2/h5-6,11,13H,7H2,1-4H3
InChIKeyZWPMXVHLUULXQF-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103433160
1-(2-methoxy-3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 103433099
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 103433092
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylpropan-1-ol
CID 103433183

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol (CID 103433114) is 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol is COc1c(C(O)CSC)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol?
The InChIKey is ZWPMXVHLUULXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-8-5-6-10(11(13)7-15-4)12(14-3)9(8)2/h5-6,11,13H,7H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol?
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol has a molecular weight of 226.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 103433114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).