2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid

C25H26FNO5 — CID 10026180

IUPAC2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid
SMILESCCOC[C@H](Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C)cc2F)n1
InChIInChI=1S/C25H26FNO5/c1-4-30-14-24(32-18-9-11-23(17(3)13-18)31-15-25(28)29)22-7-5-6-21(27-22)19-10-8-16(2)12-20(19)26/h5-13,24H,4,14-15H2,1-3H3,(H,28,29)/t24-/m0/s1
InChIKeyJPVCRJDULKIJNL-DEOSSOPVSA-N
MW439.48 g/mol
LogP5.12
Rot. Bonds10

About 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid

2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid (PubChem CID 10026180) has the molecular formula C25H26FNO5 and a molecular weight of 439.48 g/mol. Its IUPAC name is 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid
PubChem CID10026180
Molecular FormulaC25H26FNO5
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid
SMILESCCOC[C@H](Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C)cc2F)n1
InChIInChI=1S/C25H26FNO5/c1-4-30-14-24(32-18-9-11-23(17(3)13-18)31-15-25(28)29)22-7-5-6-21(27-22)19-10-8-16(2)12-20(19)26/h5-13,24H,4,14-15H2,1-3H3,(H,28,29)/t24-/m0/s1
InChIKeyJPVCRJDULKIJNL-DEOSSOPVSA-N
XLogP5.12
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 ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid (CID 10026180) is 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid is CCOC[C@H](Oc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C)cc2F)n1.
What is the InChIKey of 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid?
The InChIKey is JPVCRJDULKIJNL-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26FNO5/c1-4-30-14-24(32-18-9-11-23(17(3)13-18)31-15-25(28)29)22-7-5-6-21(27-22)19-10-8-16(2)12-20(19)26/h5-13,24H,4,14-15H2,1-3H3,(H,28,29)/t24-/m0/s1.
What are the key properties of 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid?
2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid has a molecular weight of 439.48 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-2-ethoxy-1-[6-(2-fluoro-4-methylphenyl)-2-pyridinyl]ethoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 10026180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).