methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate

C11H12F2O5 — CID 117409610

IUPACmethyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)c(OC)cc(OC)c1F
InChIInChI=1S/C11H12F2O5/c1-16-5-4-6(17-2)9(13)7(8(5)12)10(14)11(15)18-3/h4,10,14H,1-3H3
InChIKeyOLUOXUCZMQVMOM-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate

methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117409610) has the molecular formula C11H12F2O5 and a molecular weight of 262.21 g/mol. Its IUPAC name is methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
PubChem CID117409610
Molecular FormulaC11H12F2O5
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Namemethyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)c(OC)cc(OC)c1F
InChIInChI=1S/C11H12F2O5/c1-16-5-4-6(17-2)9(13)7(8(5)12)10(14)11(15)18-3/h4,10,14H,1-3H3
InChIKeyOLUOXUCZMQVMOM-UHFFFAOYSA-N
XLogP1.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
CID 117331982
methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117493783
methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374793
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
methyl 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374794
methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117472843

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate (CID 117409610) is methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(F)c(OC)cc(OC)c1F.
What is the InChIKey of methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is OLUOXUCZMQVMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O5/c1-16-5-4-6(17-2)9(13)7(8(5)12)10(14)11(15)18-3/h4,10,14H,1-3H3.
What are the key properties of methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate?
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate has a molecular weight of 262.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117409610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).