1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one

C17H19NO3 — CID 142368825

IUPAC1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one
SMILESCCC(=O)COCCOc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C17H19NO3/c1-2-15(19)13-20-10-11-21-16-8-9-17(18-12-16)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyPQYBSBWABKUZJD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.12
Rot. Bonds8

About 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one

1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one (PubChem CID 142368825) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one
PubChem CID142368825
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one
SMILESCCC(=O)COCCOc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C17H19NO3/c1-2-15(19)13-20-10-11-21-16-8-9-17(18-12-16)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3
InChIKeyPQYBSBWABKUZJD-UHFFFAOYSA-N
XLogP3.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.12
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 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one?
The IUPAC name of 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one (CID 142368825) is 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one.
What is the SMILES notation for 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one?
The canonical SMILES for 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one is CCC(=O)COCCOc1ccc(-c2ccccc2)nc1.
What is the InChIKey of 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one?
The InChIKey is PQYBSBWABKUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-15(19)13-20-10-11-21-16-8-9-17(18-12-16)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one?
1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-phenyl-3-pyridinyl)oxy]ethoxy]butan-2-one is sourced from PubChem (CID 142368825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).