3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid

C12H13F3O3 — CID 117409688

IUPAC3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1c(O)cccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C12H13F3O3/c1-11(2,10(17)18)6-7-8(12(13,14)15)4-3-5-9(7)16/h3-5,16H,6H2,1-2H3,(H,17,18)
InChIKeyLXJXOMMASQCSKE-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.06
Rot. Bonds3

About 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid

3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 117409688) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID117409688
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1c(O)cccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C12H13F3O3/c1-11(2,10(17)18)6-7-8(12(13,14)15)4-3-5-9(7)16/h3-5,16H,6H2,1-2H3,(H,17,18)
InChIKeyLXJXOMMASQCSKE-UHFFFAOYSA-N
XLogP3.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic 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

Homogentisic Acid
CID 780
3'-Hydroxyphenylacetic acid
CID 12122
Melilotic acid
CID 873
4-Hydroxy-o-toluic acid
CID 68475
3-(2-Hydroxyphenyl)propanoate
CID 6930705
3-(2-Hydroxy-1-naphthyl)propanoic acid
CID 9149737
Methyl 3-Hydroxyphenylacetate
CID 39129
3-Hydroxyphenylacetate
CID 6950813
5-(3-Hydroxyphenyl)pentanoic Acid
CID 10559720
2-[(3-Hydroxyphenyl)methyl]butanoic acid
CID 2778009
2-(3-Hydroxyphenyl)propionic acid, (+-)-
CID 12446853
2-Methyl-3'-hydroxyphenylpropionic acid
CID 23378291

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid (CID 117409688) is 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid is CC(C)(Cc1c(O)cccc1C(F)(F)F)C(=O)O.
What is the InChIKey of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is LXJXOMMASQCSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-11(2,10(17)18)6-7-8(12(13,14)15)4-3-5-9(7)16/h3-5,16H,6H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid?
3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 262.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-6-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117409688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).