4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid

C15H11F3O3 — CID 107333222

IUPAC4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3O3/c1-21-11-5-2-9(3-6-11)10-4-7-12(14(19)20)13(8-10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyNPWJCKDUDPHIBX-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.08
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid

4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid (PubChem CID 107333222) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
PubChem CID107333222
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11F3O3/c1-21-11-5-2-9(3-6-11)10-4-7-12(14(19)20)13(8-10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyNPWJCKDUDPHIBX-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methoxyphenyl)-2-(trifluoromethyl)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

4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
1-[4-methoxy-2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 130319279
4-bromo-2-methylbenzoic acid;4-(4-methoxyphenyl)-2-methylbenzoic acid
CID 160999452
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 175647118
2-ethenyl-5-(4-methoxyphenyl)benzoic acid
CID 91479677
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333287
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid (CID 107333222) is 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid is COc1ccc(-c2ccc(C(=O)O)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid?
The InChIKey is NPWJCKDUDPHIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-21-11-5-2-9(3-6-11)10-4-7-12(14(19)20)13(8-10)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid?
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid has a molecular weight of 296.24 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 107333222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).