3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid

C11H13FO3 — CID 117302907

IUPAC3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C11H13FO3/c1-11(2,6-10(14)15)7-3-4-9(13)8(12)5-7/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyKNZKUACAKJYSME-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.28
Rot. Bonds3

About 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid

3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid (PubChem CID 117302907) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid
PubChem CID117302907
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C11H13FO3/c1-11(2,6-10(14)15)7-3-4-9(13)8(12)5-7/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyKNZKUACAKJYSME-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-cyclopropyl-3-fluorophenyl)-3-methylbutanoic acid
CID 117344907
4-tert-butyl-2-fluorophenol
CID 11062790
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
3-(4-cyclopropylsulfanyl-3-fluorophenyl)-3-methylbutanoic acid
CID 117424743
3-(2,6-difluoro-3-hydroxyphenyl)-3-methylbutanoic acid
CID 117332086
3-(3,5-difluoro-4-methylsulfonylphenyl)-3-methylbutanoic acid
CID 117471936
5-(1-carboxy-2-methylpropan-2-yl)-2,3-difluorobenzoic acid
CID 117398703
3-[3-(1,1-difluoroethyl)phenyl]-3-methylbutanoic acid
CID 117357567
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
3-(3-bromo-5-fluoro-4-methylphenyl)-3-methylbutanoic acid
CID 117466917
3-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 117409702
3-(3-bromo-4,5-dihydroxyphenyl)-3-methylbutanoic acid
CID 117466848

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid (CID 117302907) is 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid is CC(C)(CC(=O)O)c1ccc(O)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid?
The InChIKey is KNZKUACAKJYSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-11(2,6-10(14)15)7-3-4-9(13)8(12)5-7/h3-5,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid?
3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-hydroxyphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117302907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).