6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid

C20H25N3O3 — CID 44629824

IUPAC6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
SMILESCCCc1cc(/N=N/c2ccncc2)ccc1OCCCCCC(=O)O
InChIInChI=1S/C20H25N3O3/c1-2-6-16-15-18(23-22-17-10-12-21-13-11-17)8-9-19(16)26-14-5-3-4-7-20(24)25/h8-13,15H,2-7,14H2,1H3,(H,24,25)/b23-22+
InChIKeyRKSDFQDWVOJLAU-GHVJWSGMSA-N
MW355.44 g/mol
LogP5.47
Rot. Bonds11

About 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid

6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid (PubChem CID 44629824) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid.

Molecular Properties

Compound Name6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
PubChem CID44629824
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
SMILESCCCc1cc(/N=N/c2ccncc2)ccc1OCCCCCC(=O)O
InChIInChI=1S/C20H25N3O3/c1-2-6-16-15-18(23-22-17-10-12-21-13-11-17)8-9-19(16)26-14-5-3-4-7-20(24)25/h8-13,15H,2-7,14H2,1H3,(H,24,25)/b23-22+
InChIKeyRKSDFQDWVOJLAU-GHVJWSGMSA-N
XLogP5.47
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid?
The IUPAC name of 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid (CID 44629824) is 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid.
What is the SMILES notation for 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid?
The canonical SMILES for 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid is CCCc1cc(/N=N/c2ccncc2)ccc1OCCCCCC(=O)O.
What is the InChIKey of 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid?
The InChIKey is RKSDFQDWVOJLAU-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-6-16-15-18(23-22-17-10-12-21-13-11-17)8-9-19(16)26-14-5-3-4-7-20(24)25/h8-13,15H,2-7,14H2,1H3,(H,24,25)/b23-22+.
What are the key properties of 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid?
6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid has a molecular weight of 355.44 g/mol, XLogP of 5.47, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid is sourced from PubChem (CID 44629824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).