methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate

C9H9FO4 — CID 117289036

IUPACmethyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(O)ccc1F
InChIInChI=1S/C9H9FO4/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8,11-12H,1H3
InChIKeyOFVSWXPTZQCFTO-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.74
Rot. Bonds2

About methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate

methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117289036) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117289036
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Namemethyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(O)ccc1F
InChIInChI=1S/C9H9FO4/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8,11-12H,1H3
InChIKeyOFVSWXPTZQCFTO-UHFFFAOYSA-N
XLogP0.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117308533
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 2-(2-fluoro-5-nitrophenyl)-2-hydroxyacetate
CID 22590188
methyl 2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
CID 117344142
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate (CID 117289036) is methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(O)ccc1F.
What is the InChIKey of methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is OFVSWXPTZQCFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-14-9(13)8(12)6-4-5(11)2-3-7(6)10/h2-4,8,11-12H,1H3.
What are the key properties of methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate?
methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 200.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-5-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117289036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).