2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid

C15H11F3O3 — CID 53228226

IUPAC2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
SMILESCc1cccc(-c2cccc(OC(F)(F)F)c2)c1C(=O)O
InChIInChI=1S/C15H11F3O3/c1-9-4-2-7-12(13(9)14(19)20)10-5-3-6-11(8-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyWILIKBAXZCNCAH-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.26
Rot. Bonds3

About 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid

2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 53228226) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID53228226
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
SMILESCc1cccc(-c2cccc(OC(F)(F)F)c2)c1C(=O)O
InChIInChI=1S/C15H11F3O3/c1-9-4-2-7-12(13(9)14(19)20)10-5-3-6-11(8-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyWILIKBAXZCNCAH-UHFFFAOYSA-N
XLogP4.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic 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-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
2-(3-methoxycarbonylphenyl)-6-methylbenzoic acid
CID 53227079
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 172650218
1-[2-methyl-4-[3-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl]ethanone
CID 154688990
N-methyl-2-[2-[3-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 46212144
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid (CID 53228226) is 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid is Cc1cccc(-c2cccc(OC(F)(F)F)c2)c1C(=O)O.
What is the InChIKey of 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is WILIKBAXZCNCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-9-4-2-7-12(13(9)14(19)20)10-5-3-6-11(8-10)21-15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid?
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 296.24 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 53228226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).