3-phenoxy-2-pyridin-4-yloxypropanoic acid

C14H13NO4 — CID 54521232

IUPAC3-phenoxy-2-pyridin-4-yloxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)Oc1ccncc1
InChIInChI=1S/C14H13NO4/c16-14(17)13(19-12-6-8-15-9-7-12)10-18-11-4-2-1-3-5-11/h1-9,13H,10H2,(H,16,17)
InChIKeyYPZLZLDOLLYHCD-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.99
Rot. Bonds6

About 3-phenoxy-2-pyridin-4-yloxypropanoic acid

3-phenoxy-2-pyridin-4-yloxypropanoic acid (PubChem CID 54521232) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-phenoxy-2-pyridin-4-yloxypropanoic acid.

Molecular Properties

Compound Name3-phenoxy-2-pyridin-4-yloxypropanoic acid
PubChem CID54521232
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-phenoxy-2-pyridin-4-yloxypropanoic acid
SMILESO=C(O)C(COc1ccccc1)Oc1ccncc1
InChIInChI=1S/C14H13NO4/c16-14(17)13(19-12-6-8-15-9-7-12)10-18-11-4-2-1-3-5-11/h1-9,13H,10H2,(H,16,17)
InChIKeyYPZLZLDOLLYHCD-UHFFFAOYSA-N
XLogP1.99
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-phenoxypropanoic acid
CID 63074298
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
2-hydroxy-3-phenoxypropanoic acid
CID 67592895
methyl 3-phenoxy-2-pyridin-4-ylpropanoate
CID 117246578
2-(6-chloroquinoxalin-2-yl)oxy-3-phenoxypropanoic acid
CID 67585154
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
(2S)-2-(4-chlorophenoxy)-4-phenoxybutanoic acid
CID 73347301
2-pyridin-3-yloxybutanoic acid
CID 18796174
3-ethoxy-3-oxo-2-pyridin-4-yloxypropanoic acid
CID 54026335
2-dodecoxy-3-phenoxypropanoic acid
CID 54526950
(2R)-2-phenoxyhexanoic acid
CID 71401043

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-2-pyridin-4-yloxypropanoic acid?
The IUPAC name of 3-phenoxy-2-pyridin-4-yloxypropanoic acid (CID 54521232) is 3-phenoxy-2-pyridin-4-yloxypropanoic acid.
What is the SMILES notation for 3-phenoxy-2-pyridin-4-yloxypropanoic acid?
The canonical SMILES for 3-phenoxy-2-pyridin-4-yloxypropanoic acid is O=C(O)C(COc1ccccc1)Oc1ccncc1.
What is the InChIKey of 3-phenoxy-2-pyridin-4-yloxypropanoic acid?
The InChIKey is YPZLZLDOLLYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-14(17)13(19-12-6-8-15-9-7-12)10-18-11-4-2-1-3-5-11/h1-9,13H,10H2,(H,16,17).
What are the key properties of 3-phenoxy-2-pyridin-4-yloxypropanoic acid?
3-phenoxy-2-pyridin-4-yloxypropanoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-2-pyridin-4-yloxypropanoic acid is sourced from PubChem (CID 54521232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).