2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid

C9H9FO4 — CID 45115839

IUPAC2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(O)cc1F
InChIInChI=1S/C9H9FO4/c1-14-8(9(12)13)6-3-2-5(11)4-7(6)10/h2-4,8,11H,1H3,(H,12,13)
InChIKeyYBJITSBOPJWXAC-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.30
Rot. Bonds3

About 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid

2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid (PubChem CID 45115839) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid
PubChem CID45115839
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(O)cc1F
InChIInChI=1S/C9H9FO4/c1-14-8(9(12)13)6-3-2-5(11)4-7(6)10/h2-4,8,11H,1H3,(H,12,13)
InChIKeyYBJITSBOPJWXAC-UHFFFAOYSA-N
XLogP1.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid (CID 45115839) is 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid is COC(C(=O)O)c1ccc(O)cc1F.
What is the InChIKey of 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid?
The InChIKey is YBJITSBOPJWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-14-8(9(12)13)6-3-2-5(11)4-7(6)10/h2-4,8,11H,1H3,(H,12,13).
What are the key properties of 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid?
2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid has a molecular weight of 200.16 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxyphenyl)-2-methoxyacetic acid is sourced from PubChem (CID 45115839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).