4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid

C15H12F3NO3 — CID 70686144

IUPAC4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO3/c1-22-11-5-6-12(14(20)21)13(8-11)19-10-4-2-3-9(7-10)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeySYOGBWKYDIRMQJ-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.16
Rot. Bonds4

About 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid

4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid (PubChem CID 70686144) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid
PubChem CID70686144
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO3/c1-22-11-5-6-12(14(20)21)13(8-11)19-10-4-2-3-9(7-10)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChIKeySYOGBWKYDIRMQJ-UHFFFAOYSA-N
XLogP4.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid?
The IUPAC name of 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid (CID 70686144) is 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid is COc1ccc(C(=O)O)c(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid?
The InChIKey is SYOGBWKYDIRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-22-11-5-6-12(14(20)21)13(8-11)19-10-4-2-3-9(7-10)15(16,17)18/h2-8,19H,1H3,(H,20,21).
What are the key properties of 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid?
4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid has a molecular weight of 311.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(trifluoromethyl)anilino]benzoic acid is sourced from PubChem (CID 70686144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).