2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid

C25H26FNO5 — CID 162680685

IUPAC2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid
SMILESCOc1ccc(COc2cc(OCC(C)C)c(-c3ccc(CC(=O)O)c(F)c3)cn2)cc1
InChIInChI=1S/C25H26FNO5/c1-16(2)14-31-23-12-24(32-15-17-4-8-20(30-3)9-5-17)27-13-21(23)18-6-7-19(11-25(28)29)22(26)10-18/h4-10,12-13,16H,11,14-15H2,1-3H3,(H,28,29)
InChIKeyDRKQXRWEHVSFDD-UHFFFAOYSA-N
MW439.48 g/mol
LogP5.14
Rot. Bonds10

About 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid

2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid (PubChem CID 162680685) has the molecular formula C25H26FNO5 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid
PubChem CID162680685
Molecular FormulaC25H26FNO5
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid
SMILESCOc1ccc(COc2cc(OCC(C)C)c(-c3ccc(CC(=O)O)c(F)c3)cn2)cc1
InChIInChI=1S/C25H26FNO5/c1-16(2)14-31-23-12-24(32-15-17-4-8-20(30-3)9-5-17)27-13-21(23)18-6-7-19(11-25(28)29)22(26)10-18/h4-10,12-13,16H,11,14-15H2,1-3H3,(H,28,29)
InChIKeyDRKQXRWEHVSFDD-UHFFFAOYSA-N
XLogP5.14
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]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-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid (CID 162680685) is 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid is COc1ccc(COc2cc(OCC(C)C)c(-c3ccc(CC(=O)O)c(F)c3)cn2)cc1.
What is the InChIKey of 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid?
The InChIKey is DRKQXRWEHVSFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO5/c1-16(2)14-31-23-12-24(32-15-17-4-8-20(30-3)9-5-17)27-13-21(23)18-6-7-19(11-25(28)29)22(26)10-18/h4-10,12-13,16H,11,14-15H2,1-3H3,(H,28,29).
What are the key properties of 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid?
2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid has a molecular weight of 439.48 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[6-[(4-methoxyphenyl)methoxy]-4-(2-methylpropoxy)-3-pyridinyl]phenyl]acetic acid is sourced from PubChem (CID 162680685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).