1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol

C11H16O3S — CID 84692045

IUPAC1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol
SMILESCOc1c(SC)ccc(C(C)O)c1OC
InChIInChI=1S/C11H16O3S/c1-7(12)8-5-6-9(15-4)11(14-3)10(8)13-2/h5-7,12H,1-4H3
InChIKeyNAOWMPKATLNKBN-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.48
Rot. Bonds4

About 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol

1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol (PubChem CID 84692045) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol
PubChem CID84692045
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol
SMILESCOc1c(SC)ccc(C(C)O)c1OC
InChIInChI=1S/C11H16O3S/c1-7(12)8-5-6-9(15-4)11(14-3)10(8)13-2/h5-7,12H,1-4H3
InChIKeyNAOWMPKATLNKBN-UHFFFAOYSA-N
XLogP2.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol 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-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117358289
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305501
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
CID 117364093
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
(1S)-1-(5-fluoro-2-methylsulfanylphenyl)ethanol
CID 78951625
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
CID 84679217
1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
CID 164893202
1-(2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 84677809
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117337308
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol?
The IUPAC name of 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol (CID 84692045) is 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol is COc1c(SC)ccc(C(C)O)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol?
The InChIKey is NAOWMPKATLNKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-7(12)8-5-6-9(15-4)11(14-3)10(8)13-2/h5-7,12H,1-4H3.
What are the key properties of 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol?
1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol has a molecular weight of 228.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 84692045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).