2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one

C16H19NO2 — CID 14956286

IUPAC2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1C(C)C
InChIInChI=1S/C16H19NO2/c1-12(2)17-10-9-15(18)16(13(17)3)19-11-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyNOWODIPWISZYLH-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.32
Rot. Bonds4

About 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one

2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one (PubChem CID 14956286) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one
PubChem CID14956286
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1C(C)C
InChIInChI=1S/C16H19NO2/c1-12(2)17-10-9-15(18)16(13(17)3)19-11-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyNOWODIPWISZYLH-UHFFFAOYSA-N
XLogP3.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one?
The IUPAC name of 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one (CID 14956286) is 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1C(C)C.
What is the InChIKey of 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one?
The InChIKey is NOWODIPWISZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(2)17-10-9-15(18)16(13(17)3)19-11-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one?
2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one has a molecular weight of 257.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylmethoxy-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 14956286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).