1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone

C16H15NO3 — CID 10801908

IUPAC1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(OCc2ccccc2)cc(C(C)=O)n1
InChIInChI=1S/C16H15NO3/c1-11(18)15-8-14(9-16(17-15)12(2)19)20-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyBGNYAWYVOWQZBT-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.07
Rot. Bonds5

About 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone

1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone (PubChem CID 10801908) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone
PubChem CID10801908
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(OCc2ccccc2)cc(C(C)=O)n1
InChIInChI=1S/C16H15NO3/c1-11(18)15-8-14(9-16(17-15)12(2)19)20-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyBGNYAWYVOWQZBT-UHFFFAOYSA-N
XLogP3.07
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone (CID 10801908) is 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone is CC(=O)c1cc(OCc2ccccc2)cc(C(C)=O)n1.
What is the InChIKey of 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone?
The InChIKey is BGNYAWYVOWQZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(18)15-8-14(9-16(17-15)12(2)19)20-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone?
1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-4-phenylmethoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 10801908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).