methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate

C10H11BrO3S — CID 117470273

IUPACmethyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Br)cccc1SC
InChIInChI=1S/C10H11BrO3S/c1-14-10(13)9(12)8-6(11)4-3-5-7(8)15-2/h3-5,9,12H,1-2H3
InChIKeyRMGOPWTUNMJHIF-UHFFFAOYSA-N
MW291.17 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate

methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate (PubChem CID 117470273) has the molecular formula C10H11BrO3S and a molecular weight of 291.17 g/mol. Its IUPAC name is methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
PubChem CID117470273
Molecular FormulaC10H11BrO3S
Molecular Weight291.17 g/mol
Exact Mass289.96
IUPAC Namemethyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Br)cccc1SC
InChIInChI=1S/C10H11BrO3S/c1-14-10(13)9(12)8-6(11)4-3-5-7(8)15-2/h3-5,9,12H,1-2H3
InChIKeyRMGOPWTUNMJHIF-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117490533
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
methyl 2-(3-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 106644466
methyl 2-bromo-6-methylsulfanylbenzoate
CID 91880735
methyl 2-(6-bromo-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117434935
1-(2-bromo-6-methylsulfanylphenyl)-2,2-dichloroethanol
CID 164892735
methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
CID 117439457
methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate
CID 117479158
2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404152
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-hydroxy-2-(3-hydroxy-2-methylsulfanylphenyl)acetate
CID 117328833
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
CID 131421509

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate (CID 117470273) is methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(Br)cccc1SC.
What is the InChIKey of methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate?
The InChIKey is RMGOPWTUNMJHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3S/c1-14-10(13)9(12)8-6(11)4-3-5-7(8)15-2/h3-5,9,12H,1-2H3.
What are the key properties of methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate?
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate has a molecular weight of 291.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117470273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).