3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid

C11H13FO4 — CID 84792120

IUPAC3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(O)c(F)c1CC(C)C(=O)O
InChIInChI=1S/C11H13FO4/c1-6(11(14)15)5-7-9(16-2)4-3-8(13)10(7)12/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyBPJRVNYRAYCFEU-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.80
Rot. Bonds4

About 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid

3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 84792120) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
PubChem CID84792120
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccc(O)c(F)c1CC(C)C(=O)O
InChIInChI=1S/C11H13FO4/c1-6(11(14)15)5-7-9(16-2)4-3-8(13)10(7)12/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyBPJRVNYRAYCFEU-UHFFFAOYSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
3-(2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307764
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
CID 84792577
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117424467
3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 117416056
3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373999
2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
3-(2-bromo-6-fluoro-3-hydroxyphenyl)-2-methylpropanoic acid
CID 84811125
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117468915
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117404338
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid (CID 84792120) is 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid is COc1ccc(O)c(F)c1CC(C)C(=O)O.
What is the InChIKey of 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is BPJRVNYRAYCFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-6(11(14)15)5-7-9(16-2)4-3-8(13)10(7)12/h3-4,6,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid?
3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 228.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-hydroxy-6-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84792120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).