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

C15H11F3O4 — CID 53228264

IUPAC5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C(=O)O)c1
InChIInChI=1S/C15H11F3O4/c1-21-11-6-7-12(13(8-11)14(19)20)9-2-4-10(5-3-9)22-15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyQCJCZOVHOVCTGH-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.96
Rot. Bonds4

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

5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid (PubChem CID 53228264) has the molecular formula C15H11F3O4 and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
PubChem CID53228264
Molecular FormulaC15H11F3O4
Molecular Weight312.24 g/mol
Exact Mass312.06
IUPAC Name5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C(=O)O)c1
InChIInChI=1S/C15H11F3O4/c1-21-11-6-7-12(13(8-11)14(19)20)9-2-4-10(5-3-9)22-15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyQCJCZOVHOVCTGH-UHFFFAOYSA-N
XLogP3.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
7-methoxy-2-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073526
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
1-[2-(4-fluorophenyl)-5-methoxyphenyl]ethanone
CID 175647071
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid?
The IUPAC name of 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid (CID 53228264) is 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid?
The canonical SMILES for 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid is COc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid?
The InChIKey is QCJCZOVHOVCTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O4/c1-21-11-6-7-12(13(8-11)14(19)20)9-2-4-10(5-3-9)22-15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid?
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid has a molecular weight of 312.24 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid is sourced from PubChem (CID 53228264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).