2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid

C9H7FO5 — CID 117304898

IUPAC2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1c(O)ccc(C(=O)C(=O)O)c1F
InChIInChI=1S/C9H7FO5/c1-15-8-5(11)3-2-4(6(8)10)7(12)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyUPZKBLIYKBUXFT-UHFFFAOYSA-N
MW214.15 g/mol
LogP0.81
Rot. Bonds3

About 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid

2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid (PubChem CID 117304898) has the molecular formula C9H7FO5 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
PubChem CID117304898
Molecular FormulaC9H7FO5
Molecular Weight214.15 g/mol
Exact Mass214.03
IUPAC Name2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1c(O)ccc(C(=O)C(=O)O)c1F
InChIInChI=1S/C9H7FO5/c1-15-8-5(11)3-2-4(6(8)10)7(12)9(13)14/h2-3,11H,1H3,(H,13,14)
InChIKeyUPZKBLIYKBUXFT-UHFFFAOYSA-N
XLogP0.81
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3,4-dimethoxyphenyl)-2-oxoacetic acid
CID 117328183
ethyl 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetate
CID 117356979
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
2,4-dihydroxy-3-methoxybenzoic acid
CID 3021603
2-[2-hydroxy-3-methoxy-4-(trifluoromethyl)phenyl]-2-oxoacetic acid
CID 117414453
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetic acid
CID 24973228
2-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-2-oxoacetic acid
CID 117469922
2-(3,4-dimethoxy-2-methylsulfanylphenyl)-2-oxoacetic acid
CID 117393851
2-[1-(2-ethyl-4-hydroxy-3-methoxyphenyl)propylidene]propanedioic acid
CID 67319590
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249
2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetic acid
CID 117337071

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid (CID 117304898) is 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid is COc1c(O)ccc(C(=O)C(=O)O)c1F.
What is the InChIKey of 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid?
The InChIKey is UPZKBLIYKBUXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO5/c1-15-8-5(11)3-2-4(6(8)10)7(12)9(13)14/h2-3,11H,1H3,(H,13,14).
What are the key properties of 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid?
2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid has a molecular weight of 214.15 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117304898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).