2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid

C16H13F3O2 — CID 102755397

IUPAC2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2C)cc1C(=O)O
InChIInChI=1S/C16H13F3O2/c1-9-3-4-11(8-14(9)15(20)21)13-6-5-12(7-10(13)2)16(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyOFZNMUWZPIZMAV-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.69
Rot. Bonds2

About 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid

2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 102755397) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
PubChem CID102755397
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid
SMILESCc1ccc(-c2ccc(C(F)(F)F)cc2C)cc1C(=O)O
InChIInChI=1S/C16H13F3O2/c1-9-3-4-11(8-14(9)15(20)21)13-6-5-12(7-10(13)2)16(17,18)19/h3-8H,1-2H3,(H,20,21)
InChIKeyOFZNMUWZPIZMAV-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5-[2-methyl-4-(trifluoromethyl)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

Ketoprofen
CID 3825
Bexarotene
CID 82146
P-Toluic Acid
CID 7470
4-tert-Butylbenzoic acid
CID 7403
2-Methylbenzoic acid
CID 8373
Dexketoprofen
CID 667550
4-Isopropylbenzoic Acid
CID 10820
9-Anthracenecarboxylic acid
CID 2201
3-(Trifluoromethyl)benzoic acid
CID 9963
3-Methylbenzoic acid
CID 7418
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
1-Naphthoic acid
CID 6847

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid (CID 102755397) is 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid is Cc1ccc(-c2ccc(C(F)(F)F)cc2C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is OFZNMUWZPIZMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2/c1-9-3-4-11(8-14(9)15(20)21)13-6-5-12(7-10(13)2)16(17,18)19/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid?
2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 294.27 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-methyl-4-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 102755397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).