1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol

C13H20O2S — CID 116830252

IUPAC1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1cc(C)c(C(O)CSC)c(C)c1C
InChIInChI=1S/C13H20O2S/c1-8-6-12(15-4)9(2)10(3)13(8)11(14)7-16-5/h6,11,14H,7H2,1-5H3
InChIKeyIESISWYSYGWLEX-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol

1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol (PubChem CID 116830252) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
PubChem CID116830252
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1cc(C)c(C(O)CSC)c(C)c1C
InChIInChI=1S/C13H20O2S/c1-8-6-12(15-4)9(2)10(3)13(8)11(14)7-16-5/h6,11,14H,7H2,1-5H3
InChIKeyIESISWYSYGWLEX-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831668
1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116835551
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
CID 83939317
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol (CID 116830252) is 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol is COc1cc(C)c(C(O)CSC)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol?
The InChIKey is IESISWYSYGWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-8-6-12(15-4)9(2)10(3)13(8)11(14)7-16-5/h6,11,14H,7H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol?
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol has a molecular weight of 240.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 116830252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).