methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate

C11H14O4S — CID 117357886

IUPACmethyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
SMILESCOC(=O)C(O)c1c(OC)cccc1SC
InChIInChI=1S/C11H14O4S/c1-14-7-5-4-6-8(16-3)9(7)10(12)11(13)15-2/h4-6,10,12H,1-3H3
InChIKeyUFLOJFANOCVPJS-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.62
Rot. Bonds4

About methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate

methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate (PubChem CID 117357886) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
PubChem CID117357886
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Namemethyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
SMILESCOC(=O)C(O)c1c(OC)cccc1SC
InChIInChI=1S/C11H14O4S/c1-14-7-5-4-6-8(16-3)9(7)10(12)11(13)15-2/h4-6,10,12H,1-3H3
InChIKeyUFLOJFANOCVPJS-UHFFFAOYSA-N
XLogP1.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
CID 117303266
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117388905
methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117428827
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
methyl 2-hydroxy-2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)acetate
CID 117394404
2-amino-6-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 81420850
ethyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117490533

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate (CID 117357886) is methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate is COC(=O)C(O)c1c(OC)cccc1SC.
What is the InChIKey of methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate?
The InChIKey is UFLOJFANOCVPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-14-7-5-4-6-8(16-3)9(7)10(12)11(13)15-2/h4-6,10,12H,1-3H3.
What are the key properties of methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate?
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate has a molecular weight of 242.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate is sourced from PubChem (CID 117357886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).