2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid

C23H20FNO4 — CID 130365601

IUPAC2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(Oc4ccncc4)ccc3F)cc2)C1
InChIInChI=1S/C23H20FNO4/c24-22-6-5-19(29-18-7-9-25-10-8-18)13-21(22)16-3-1-15(2-4-16)17-11-20(12-17)28-14-23(26)27/h1-10,13,17,20H,11-12,14H2,(H,26,27)
InChIKeyMWCLELBNXYNORW-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.03
Rot. Bonds7

About 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid

2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid (PubChem CID 130365601) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid
PubChem CID130365601
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(Oc4ccncc4)ccc3F)cc2)C1
InChIInChI=1S/C23H20FNO4/c24-22-6-5-19(29-18-7-9-25-10-8-18)13-21(22)16-3-1-15(2-4-16)17-11-20(12-17)28-14-23(26)27/h1-10,13,17,20H,11-12,14H2,(H,26,27)
InChIKeyMWCLELBNXYNORW-UHFFFAOYSA-N
XLogP5.03
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
The IUPAC name of 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid (CID 130365601) is 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid is O=C(O)COC1CC(c2ccc(-c3cc(Oc4ccncc4)ccc3F)cc2)C1.
What is the InChIKey of 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
The InChIKey is MWCLELBNXYNORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c24-22-6-5-19(29-18-7-9-25-10-8-18)13-21(22)16-3-1-15(2-4-16)17-11-20(12-17)28-14-23(26)27/h1-10,13,17,20H,11-12,14H2,(H,26,27).
What are the key properties of 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid?
2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid has a molecular weight of 393.41 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-fluoro-5-pyridin-4-yloxyphenyl)phenyl]cyclobutyl]oxyacetic acid is sourced from PubChem (CID 130365601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).