1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol

C11H16O2S — CID 84679217

IUPAC1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
SMILESCOc1cc(C(C)O)c(SC)cc1C
InChIInChI=1S/C11H16O2S/c1-7-5-11(14-4)9(8(2)12)6-10(7)13-3/h5-6,8,12H,1-4H3
InChIKeyHUYZGUWUPXGCJQ-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.78
Rot. Bonds3

About 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol

1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol (PubChem CID 84679217) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
PubChem CID84679217
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
SMILESCOc1cc(C(C)O)c(SC)cc1C
InChIInChI=1S/C11H16O2S/c1-7-5-11(14-4)9(8(2)12)6-10(7)13-3/h5-6,8,12H,1-4H3
InChIKeyHUYZGUWUPXGCJQ-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
1-(2-fluoro-4-methoxy-5-methylphenyl)ethanol
CID 84659572
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
5-methoxy-4-methyl-2-methylsulfanylbenzaldehyde
CID 15915318
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(4,5-dimethyl-2-methylsulfanylphenyl)ethanamine
CID 117285815
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol?
The IUPAC name of 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol (CID 84679217) is 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol is COc1cc(C(C)O)c(SC)cc1C.
What is the InChIKey of 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol?
The InChIKey is HUYZGUWUPXGCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-7-5-11(14-4)9(8(2)12)6-10(7)13-3/h5-6,8,12H,1-4H3.
What are the key properties of 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol?
1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol has a molecular weight of 212.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 84679217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).