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

C15H11F3O3 — CID 53218469

IUPAC4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H11F3O3/c1-21-13-7-6-11(15(16,17)18)8-12(13)9-2-4-10(5-3-9)14(19)20/h2-8H,1H3,(H,19,20)
InChIKeyWVBOCNPEOZESGT-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.08
Rot. Bonds3

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

4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 53218469) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
PubChem CID53218469
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H11F3O3/c1-21-13-7-6-11(15(16,17)18)8-12(13)9-2-4-10(5-3-9)14(19)20/h2-8H,1H3,(H,19,20)
InChIKeyWVBOCNPEOZESGT-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-[2-methoxy-5-(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

3-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid
CID 53228592
3-chloro-4-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]benzoic acid
CID 143502040
4-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-3-methylbenzoic acid;N-methylmethanamine
CID 142535512
4-[5-[(E)-1-carboxyprop-1-en-2-yl]-2-methoxyphenyl]benzoic acid
CID 110447068
2-methoxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224496
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
CID 53219739
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
3-[2,5-bis(trifluoromethyl)anilino]-4-methoxybenzoic acid
CID 155291425
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
[4-methyl-2-[4-(trifluoromethyl)phenyl]phenyl] hydrogen carbonate
CID 151936127

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid (CID 53218469) is 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid is COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is WVBOCNPEOZESGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-21-13-7-6-11(15(16,17)18)8-12(13)9-2-4-10(5-3-9)14(19)20/h2-8H,1H3,(H,19,20).
What are the key properties of 4-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid?
4-[2-methoxy-5-(trifluoromethyl)phenyl]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-[2-methoxy-5-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 53218469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).