2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

C16H13F3O4 — CID 11416126

IUPAC2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1
InChIInChI=1S/C16H13F3O4/c1-22-12-5-2-10(3-6-12)13-8-11(16(17,18)19)4-7-14(13)23-9-15(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyBAGKZNKMTKKDNL-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.84
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 11416126) has the molecular formula C16H13F3O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID11416126
Molecular FormulaC16H13F3O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Name2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCOc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1
InChIInChI=1S/C16H13F3O4/c1-22-12-5-2-10(3-6-12)13-8-11(16(17,18)19)4-7-14(13)23-9-15(20)21/h2-8H,9H2,1H3,(H,20,21)
InChIKeyBAGKZNKMTKKDNL-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (CID 11416126) is 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is COc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is BAGKZNKMTKKDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O4/c1-22-12-5-2-10(3-6-12)13-8-11(16(17,18)19)4-7-14(13)23-9-15(20)21/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 326.27 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 11416126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).