3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid

C11H11F3O3 — CID 84706478

IUPAC3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(O)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H11F3O3/c1-6(10(16)17)4-7-2-3-9(15)8(5-7)11(12,13)14/h2-3,5-6,15H,4H2,1H3,(H,16,17)
InChIKeyMUOZBZAPPWWUCQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.67
Rot. Bonds3

About 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid

3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid (PubChem CID 84706478) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
PubChem CID84706478
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(O)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H11F3O3/c1-6(10(16)17)4-7-2-3-9(15)8(5-7)11(12,13)14/h2-3,5-6,15H,4H2,1H3,(H,16,17)
InChIKeyMUOZBZAPPWWUCQ-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic 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-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
CID 146556898
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
2-[(2-amino-3-phenylpropanoyl)amino]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 146451657
2-methyl-3-[4-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 84705639
4-benzyl-3-[(2S)-3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 162562883
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
3-[3-(2,2-difluoropropyl)phenyl]-2-methylpropanoic acid
CID 84703295
3-(4-fluoro-3-phenylphenyl)-2-methylpropanoic acid
CID 117399352
3-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 132990133
4-[[butan-2-yl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82976724
3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-methylpropanoic acid
CID 70475803

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid (CID 84706478) is 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid is CC(Cc1ccc(O)c(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
The InChIKey is MUOZBZAPPWWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-6(10(16)17)4-7-2-3-9(15)8(5-7)11(12,13)14/h2-3,5-6,15H,4H2,1H3,(H,16,17).
What are the key properties of 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid?
3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 84706478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).