methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate

C24H25NO3 — CID 14946858

IUPACmethyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate
SMILESCOC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H25NO3/c1-27-24(26)15-9-4-10-16-28-23-18-21(19-11-5-2-6-12-19)17-22(25-23)20-13-7-3-8-14-20/h2-3,5-8,11-14,17-18H,4,9-10,15-16H2,1H3
InChIKeyWYICLMRNBNQBNX-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.53
Rot. Bonds9

About methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate

methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate (PubChem CID 14946858) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate
PubChem CID14946858
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate
SMILESCOC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H25NO3/c1-27-24(26)15-9-4-10-16-28-23-18-21(19-11-5-2-6-12-19)17-22(25-23)20-13-7-3-8-14-20/h2-3,5-8,11-14,17-18H,4,9-10,15-16H2,1H3
InChIKeyWYICLMRNBNQBNX-UHFFFAOYSA-N
XLogP5.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.53
H-Bond Donors ≤ 50
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 methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate?
The IUPAC name of methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate (CID 14946858) is methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate.
What is the SMILES notation for methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate?
The canonical SMILES for methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate is COC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate?
The InChIKey is WYICLMRNBNQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-27-24(26)15-9-4-10-16-28-23-18-21(19-11-5-2-6-12-19)17-22(25-23)20-13-7-3-8-14-20/h2-3,5-8,11-14,17-18H,4,9-10,15-16H2,1H3.
What are the key properties of methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate?
methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate has a molecular weight of 375.47 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoate is sourced from PubChem (CID 14946858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).