6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid

C24H25NO4 — CID 10340408

IUPAC6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCOc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1
InChIInChI=1S/C24H25NO4/c1-28-21-12-8-11-19(15-21)22-16-20(18-9-4-2-5-10-18)17-23(25-22)29-14-7-3-6-13-24(26)27/h2,4-5,8-12,15-17H,3,6-7,13-14H2,1H3,(H,26,27)
InChIKeyLREYOSJLIVGRFR-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.45
Rot. Bonds10

About 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid

6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10340408) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID10340408
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCOc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1
InChIInChI=1S/C24H25NO4/c1-28-21-12-8-11-19(15-21)22-16-20(18-9-4-2-5-10-18)17-23(25-22)29-14-7-3-6-13-24(26)27/h2,4-5,8-12,15-17H,3,6-7,13-14H2,1H3,(H,26,27)
InChIKeyLREYOSJLIVGRFR-UHFFFAOYSA-N
XLogP5.45
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.45
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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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 10340408) is 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is COc1cccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)c1.
What is the InChIKey of 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is LREYOSJLIVGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-28-21-12-8-11-19(15-21)22-16-20(18-9-4-2-5-10-18)17-23(25-22)29-14-7-3-6-13-24(26)27/h2,4-5,8-12,15-17H,3,6-7,13-14H2,1H3,(H,26,27).
What are the key properties of 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 391.47 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(3-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10340408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).