1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone

C15H15NO3 — CID 58914370

IUPAC1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone
SMILESCOc1ccnc(C(C)=O)c1OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-11(17)14-15(13(18-2)8-9-16-14)19-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyNUZYWEURZSBIDV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.87
Rot. Bonds5

About 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone

1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone (PubChem CID 58914370) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone
PubChem CID58914370
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone
SMILESCOc1ccnc(C(C)=O)c1OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-11(17)14-15(13(18-2)8-9-16-14)19-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyNUZYWEURZSBIDV-UHFFFAOYSA-N
XLogP2.87
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone (CID 58914370) is 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone is COc1ccnc(C(C)=O)c1OCc1ccccc1.
What is the InChIKey of 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone?
The InChIKey is NUZYWEURZSBIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11(17)14-15(13(18-2)8-9-16-14)19-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone?
1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone has a molecular weight of 257.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-phenylmethoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58914370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).