2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid

C20H22FNO4 — CID 130365619

IUPAC2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid
SMILESCC(C)Oc1cc(-c2ccc(C3CC(OCC(=O)O)C3)cc2)c(F)cn1
InChIInChI=1S/C20H22FNO4/c1-12(2)26-19-9-17(18(21)10-22-19)14-5-3-13(4-6-14)15-7-16(8-15)25-11-20(23)24/h3-6,9-10,12,15-16H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyKFLLWDPFAFNICY-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.02
Rot. Bonds7

About 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid

2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid (PubChem CID 130365619) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid
PubChem CID130365619
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid
SMILESCC(C)Oc1cc(-c2ccc(C3CC(OCC(=O)O)C3)cc2)c(F)cn1
InChIInChI=1S/C20H22FNO4/c1-12(2)26-19-9-17(18(21)10-22-19)14-5-3-13(4-6-14)15-7-16(8-15)25-11-20(23)24/h3-6,9-10,12,15-16H,7-8,11H2,1-2H3,(H,23,24)
InChIKeyKFLLWDPFAFNICY-UHFFFAOYSA-N
XLogP4.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid?
The IUPAC name of 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid (CID 130365619) is 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid is CC(C)Oc1cc(-c2ccc(C3CC(OCC(=O)O)C3)cc2)c(F)cn1.
What is the InChIKey of 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid?
The InChIKey is KFLLWDPFAFNICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-12(2)26-19-9-17(18(21)10-22-19)14-5-3-13(4-6-14)15-7-16(8-15)25-11-20(23)24/h3-6,9-10,12,15-16H,7-8,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid?
2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid has a molecular weight of 359.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5-fluoro-2-propan-2-yloxy-4-pyridinyl)phenyl]cyclobutyl]oxyacetic acid is sourced from PubChem (CID 130365619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).