3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid

C11H13FO3 — CID 117302939

IUPAC3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C11H13FO3/c1-11(2,10(14)15)6-7-5-8(12)3-4-9(7)13/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyOGQCBYWFEBHFFL-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.18
Rot. Bonds3

About 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid

3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117302939) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID117302939
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C11H13FO3/c1-11(2,10(14)15)6-7-5-8(12)3-4-9(7)13/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyOGQCBYWFEBHFFL-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-1-methylindol-3-yl)-2,2-dimethylpropanoic acid
CID 117196303
3-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 117344665
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117369120
3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 83402760
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
3-(3-fluoro-2-hydroxy-4-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117468898
3-(7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2,2-dimethylpropanoic acid
CID 117419598
3-(3-fluoro-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117325436
3-[3-hydroxy-4-(hydroxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117321762
3-(5-fluoro-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117195222
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
2-[(2,5-difluorophenyl)methyl]-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900104

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid (CID 117302939) is 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid is CC(C)(Cc1cc(F)ccc1O)C(=O)O.
What is the InChIKey of 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is OGQCBYWFEBHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-11(2,10(14)15)6-7-5-8(12)3-4-9(7)13/h3-5,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid?
3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117302939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).