3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid

C21H19NO3 — CID 23159839

IUPAC3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H19NO3/c23-21(24)12-9-16-7-10-19(11-8-16)25-15-17-4-3-5-18(14-17)20-6-1-2-13-22-20/h1-8,10-11,13-14H,9,12,15H2,(H,23,24)
InChIKeyJQZUDSNBAXOOQN-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.34
Rot. Bonds7

About 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid

3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid (PubChem CID 23159839) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid
PubChem CID23159839
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C21H19NO3/c23-21(24)12-9-16-7-10-19(11-8-16)25-15-17-4-3-5-18(14-17)20-6-1-2-13-22-20/h1-8,10-11,13-14H,9,12,15H2,(H,23,24)
InChIKeyJQZUDSNBAXOOQN-UHFFFAOYSA-N
XLogP4.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid (CID 23159839) is 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid?
The InChIKey is JQZUDSNBAXOOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-21(24)12-9-16-7-10-19(11-8-16)25-15-17-4-3-5-18(14-17)20-6-1-2-13-22-20/h1-8,10-11,13-14H,9,12,15H2,(H,23,24).
What are the key properties of 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid?
3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid has a molecular weight of 333.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-pyridin-2-ylphenyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 23159839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).