2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid

C17H15F3O3 — CID 176514239

IUPAC2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C17H15F3O3/c1-16(2,15(21)22)12-7-5-6-11(10-12)13-8-3-4-9-14(13)23-17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyUVKZEIMDNKVSCG-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.61
Rot. Bonds4

About 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid

2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid (PubChem CID 176514239) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
PubChem CID176514239
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C17H15F3O3/c1-16(2,15(21)22)12-7-5-6-11(10-12)13-8-3-4-9-14(13)23-17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyUVKZEIMDNKVSCG-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic 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

2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
(E)-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 16768784
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2-[3-(2,5-difluorophenyl)phenyl]-2-methylpropanoic acid
CID 176514272
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 58832520
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxylic acid
CID 11360434
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
methyl 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134634001
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid (CID 176514239) is 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid is CC(C)(C(=O)O)c1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The InChIKey is UVKZEIMDNKVSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-16(2,15(21)22)12-7-5-6-11(10-12)13-8-3-4-9-14(13)23-17(18,19)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid has a molecular weight of 324.30 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 176514239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).