methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate

C9H8F2O4 — CID 117310490

IUPACmethyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H8F2O4/c1-15-9(14)8(13)6-5(12)3-2-4(10)7(6)11/h2-3,8,12-13H,1H3
InChIKeyPXOAFVZGASRSTQ-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.88
Rot. Bonds2

About methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate

methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117310490) has the molecular formula C9H8F2O4 and a molecular weight of 218.16 g/mol. Its IUPAC name is methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117310490
Molecular FormulaC9H8F2O4
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Namemethyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H8F2O4/c1-15-9(14)8(13)6-5(12)3-2-4(10)7(6)11/h2-3,8,12-13H,1H3
InChIKeyPXOAFVZGASRSTQ-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117362062
methyl 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanoate
CID 171863882
methyl 2-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 117475569
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
3,4-difluoro-2-propan-2-ylphenol
CID 130384199
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117289036
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117493779
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117321227
methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
CID 117331982

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate (CID 117310490) is methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(O)ccc(F)c1F.
What is the InChIKey of methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is PXOAFVZGASRSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O4/c1-15-9(14)8(13)6-5(12)3-2-4(10)7(6)11/h2-3,8,12-13H,1H3.
What are the key properties of methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate?
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 218.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117310490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).