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

C17H15F3O3 — CID 176514248

IUPAC2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O3/c1-16(2,15(21)22)13-7-3-5-11(9-13)12-6-4-8-14(10-12)23-17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyBANAHDBUUQPXBF-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.61
Rot. Bonds4

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

2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid (PubChem CID 176514248) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
PubChem CID176514248
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C17H15F3O3/c1-16(2,15(21)22)13-7-3-5-11(9-13)12-6-4-8-14(10-12)23-17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyBANAHDBUUQPXBF-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

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Related Compounds

2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239
2-[3-(4-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232920
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2,2-difluoro-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 62916357
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 69182893
2-methyl-2-(3-trimethylsilyloxyphenyl)propanoic acid
CID 167726391
2-methyl-2-[3-(4-methylsulfonylphenyl)phenyl]propanoic acid
CID 176514258
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid (CID 176514248) is 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid is CC(C)(C(=O)O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
The InChIKey is BANAHDBUUQPXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-16(2,15(21)22)13-7-3-5-11(9-13)12-6-4-8-14(10-12)23-17(18,19)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid?
2-methyl-2-[3-[3-(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-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 176514248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).