2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid

C26H26F3NO4 — CID 58629916

IUPAC2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid
SMILESCCCCC(Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C26H26F3NO4/c1-3-4-8-24(34-20-13-14-23(17(2)15-20)33-16-25(31)32)22-7-5-6-21(30-22)18-9-11-19(12-10-18)26(27,28)29/h5-7,9-15,24H,3-4,8,16H2,1-2H3,(H,31,32)
InChIKeyABGLCAPJSYFEJL-UHFFFAOYSA-N
MW473.49 g/mol
LogP6.85
Rot. Bonds10

About 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid

2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid (PubChem CID 58629916) has the molecular formula C26H26F3NO4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid
PubChem CID58629916
Molecular FormulaC26H26F3NO4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC Name2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid
SMILESCCCCC(Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C26H26F3NO4/c1-3-4-8-24(34-20-13-14-23(17(2)15-20)33-16-25(31)32)22-7-5-6-21(30-22)18-9-11-19(12-10-18)26(27,28)29/h5-7,9-15,24H,3-4,8,16H2,1-2H3,(H,31,32)
InChIKeyABGLCAPJSYFEJL-UHFFFAOYSA-N
XLogP6.85
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.49
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]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-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid (CID 58629916) is 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid is CCCCC(Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid?
The InChIKey is ABGLCAPJSYFEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO4/c1-3-4-8-24(34-20-13-14-23(17(2)15-20)33-16-25(31)32)22-7-5-6-21(30-22)18-9-11-19(12-10-18)26(27,28)29/h5-7,9-15,24H,3-4,8,16H2,1-2H3,(H,31,32).
What are the key properties of 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid?
2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid has a molecular weight of 473.49 g/mol, XLogP of 6.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[1-[6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pentoxy]phenoxy]acetic acid is sourced from PubChem (CID 58629916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).