2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid

C19H19NO5 — CID 138382571

IUPAC2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccn2)cc1C(=O)C1CCOCC1
InChIInChI=1S/C19H19NO5/c21-18(22)12-25-17-5-4-14(16-3-1-2-8-20-16)11-15(17)19(23)13-6-9-24-10-7-13/h1-5,8,11,13H,6-7,9-10,12H2,(H,21,22)
InChIKeyIPACCVMZRIYXGC-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid

2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid (PubChem CID 138382571) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid
PubChem CID138382571
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2ccccn2)cc1C(=O)C1CCOCC1
InChIInChI=1S/C19H19NO5/c21-18(22)12-25-17-5-4-14(16-3-1-2-8-20-16)11-15(17)19(23)13-6-9-24-10-7-13/h1-5,8,11,13H,6-7,9-10,12H2,(H,21,22)
InChIKeyIPACCVMZRIYXGC-UHFFFAOYSA-N
XLogP2.82
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(morpholin-4-ylmethyl)-4-pyridin-2-ylphenoxy]acetic acid
CID 135094466
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
2-[2-(oxan-4-yl)phenoxy]acetic acid
CID 22246374
2-fluoro-5-pyridin-2-ylbenzoic acid
CID 63679251
2-[2-[[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-4-pyridin-2-ylphenoxy]acetic acid
CID 135107854
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
[2-(3-morpholin-4-ylpropoxy)phenyl]-(oxan-4-yl)methanone
CID 137338787
[2-(2-aminoethyl)phenyl]-(oxan-4-yl)methanone
CID 116577414
(2-bromophenyl)-(oxan-4-yl)methanone
CID 63936269
(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-5-pyridin-2-ylbenzamide
CID 109399545
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid?
The IUPAC name of 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid (CID 138382571) is 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid.
What is the SMILES notation for 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid?
The canonical SMILES for 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid is O=C(O)COc1ccc(-c2ccccn2)cc1C(=O)C1CCOCC1.
What is the InChIKey of 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid?
The InChIKey is IPACCVMZRIYXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(22)12-25-17-5-4-14(16-3-1-2-8-20-16)11-15(17)19(23)13-6-9-24-10-7-13/h1-5,8,11,13H,6-7,9-10,12H2,(H,21,22).
What are the key properties of 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid?
2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid has a molecular weight of 341.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxane-4-carbonyl)-4-pyridin-2-ylphenoxy]acetic acid is sourced from PubChem (CID 138382571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).