4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid

C15H15NO4 — CID 142770731

IUPAC4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C15H15NO4/c17-12-4-1-3-11(9-12)14-7-6-13(10-16-14)20-8-2-5-15(18)19/h1,3-4,6-7,9-10,17H,2,5,8H2,(H,18,19)
InChIKeyFVKLKPKBWIVILU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.70
Rot. Bonds6

About 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid

4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid (PubChem CID 142770731) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid.

Molecular Properties

Compound Name4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
PubChem CID142770731
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
SMILESO=C(O)CCCOc1ccc(-c2cccc(O)c2)nc1
InChIInChI=1S/C15H15NO4/c17-12-4-1-3-11(9-12)14-7-6-13(10-16-14)20-8-2-5-15(18)19/h1,3-4,6-7,9-10,17H,2,5,8H2,(H,18,19)
InChIKeyFVKLKPKBWIVILU-UHFFFAOYSA-N
XLogP2.70
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
CID 142527040
methyl 2-[6-(3-hydroxyphenyl)-3-pyridinyl]acetate
CID 166089309
3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
CID 117231253
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate
CID 117231285
1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one
CID 142368825
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium
CID 177001699
6-(3,5-diphenylphenoxy)hexanoic acid
CID 18987245
5-cyano-2-(3-hydroxyphenyl)pyridine-4-carboxylic acid
CID 115043513
3-[3-(5-fluoro-2-pyridinyl)phenyl]propanoic acid
CID 166387567
3-(5-isocyanato-2-pyridinyl)phenol
CID 115027764

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid?
The IUPAC name of 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid (CID 142770731) is 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid.
What is the SMILES notation for 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid?
The canonical SMILES for 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid is O=C(O)CCCOc1ccc(-c2cccc(O)c2)nc1.
What is the InChIKey of 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid?
The InChIKey is FVKLKPKBWIVILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-12-4-1-3-11(9-12)14-7-6-13(10-16-14)20-8-2-5-15(18)19/h1,3-4,6-7,9-10,17H,2,5,8H2,(H,18,19).
What are the key properties of 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid?
4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid is sourced from PubChem (CID 142770731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).