4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid

C20H23NO4 — CID 121447444

IUPAC4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1cccc(-c2cccnc2OC2CCCC2)c1
InChIInChI=1S/C20H23NO4/c22-19(23)11-5-13-24-17-9-3-6-15(14-17)18-10-4-12-21-20(18)25-16-7-1-2-8-16/h3-4,6,9-10,12,14,16H,1-2,5,7-8,11,13H2,(H,22,23)
InChIKeyZEVGOBKHTJYHNG-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.31
Rot. Bonds8

About 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid

4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid (PubChem CID 121447444) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid
PubChem CID121447444
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1cccc(-c2cccnc2OC2CCCC2)c1
InChIInChI=1S/C20H23NO4/c22-19(23)11-5-13-24-17-9-3-6-15(14-17)18-10-4-12-21-20(18)25-16-7-1-2-8-16/h3-4,6,9-10,12,14,16H,1-2,5,7-8,11,13H2,(H,22,23)
InChIKeyZEVGOBKHTJYHNG-UHFFFAOYSA-N
XLogP4.31
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-cyclobutyloxy-3-pyridinyl)-2,6-difluorophenyl]pentanoic acid
CID 121447335
5-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenyl]hexanoic acid
CID 121447306
4-[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenoxy]butanoic acid
CID 86346184
4-[3-(2-methylpyrazol-3-yl)phenoxy]butanoic acid
CID 146135655
2-[4-(2-cyclopentyloxy-3-pyridinyl)phenyl]sulfanylpropanoic acid
CID 141426986
6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
CID 134391742
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104
4-[6-(2-propan-2-ylsulfanyl-3-pyridinyl)naphthalen-2-yl]oxybutanoic acid
CID 121446981
4-[[4-[2-(cyclobutylmethoxy)-3-pyridinyl]-2,6-difluorophenyl]methylamino]butanoic acid
CID 150786428
6-(3,5-diphenylphenoxy)hexanoic acid
CID 18987245
5-[2-[4-(2-cyclopentyloxy-3-pyridinyl)-2,6-difluorophenoxy]ethyl]-1,2-oxazol-3-one
CID 121447078
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid?
The IUPAC name of 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid (CID 121447444) is 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid.
What is the SMILES notation for 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid?
The canonical SMILES for 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid is O=C(O)CCCOc1cccc(-c2cccnc2OC2CCCC2)c1.
What is the InChIKey of 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid?
The InChIKey is ZEVGOBKHTJYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(23)11-5-13-24-17-9-3-6-15(14-17)18-10-4-12-21-20(18)25-16-7-1-2-8-16/h3-4,6,9-10,12,14,16H,1-2,5,7-8,11,13H2,(H,22,23).
What are the key properties of 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid?
4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid has a molecular weight of 341.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-cyclopentyloxy-3-pyridinyl)phenoxy]butanoic acid is sourced from PubChem (CID 121447444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).