1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol

C12H18O2S — CID 116830247

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1c(C)cc(C(O)CSC)cc1C
InChIInChI=1S/C12H18O2S/c1-8-5-10(11(13)7-15-4)6-9(2)12(8)14-3/h5-6,11,13H,7H2,1-4H3
InChIKeyYXJXMIBHWHUHHX-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol

1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol (PubChem CID 116830247) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
PubChem CID116830247
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
SMILESCOc1c(C)cc(C(O)CSC)cc1C
InChIInChI=1S/C12H18O2S/c1-8-5-10(11(13)7-15-4)6-9(2)12(8)14-3/h5-6,11,13H,7H2,1-4H3
InChIKeyYXJXMIBHWHUHHX-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

Analyze 1-(4-methoxy-3,5-dimethylphenyl)-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

(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 112518901
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
1-(4-methoxy-2,3,6-trimethylphenyl)-2-methylsulfanylethanol
CID 116830252
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
1-(3,5-dichloro-2-methoxyphenyl)-2-methylsulfanylethanol
CID 116830202
(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanol
CID 107181847
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol (CID 116830247) is 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol is COc1c(C)cc(C(O)CSC)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol?
The InChIKey is YXJXMIBHWHUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-8-5-10(11(13)7-15-4)6-9(2)12(8)14-3/h5-6,11,13H,7H2,1-4H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol?
1-(4-methoxy-3,5-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-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol is sourced from PubChem (CID 116830247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).