1,2-dimethyl-3-phenylmethoxypyridin-4-one

C14H15NO2 — CID 14956281

IUPAC1,2-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1C
InChIInChI=1S/C14H15NO2/c1-11-14(13(16)8-9-15(11)2)17-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyACWNQYIVOPCVIE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.27
Rot. Bonds3

About 1,2-dimethyl-3-phenylmethoxypyridin-4-one

1,2-dimethyl-3-phenylmethoxypyridin-4-one (PubChem CID 14956281) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-3-phenylmethoxypyridin-4-one
PubChem CID14956281
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1,2-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCc1c(OCc2ccccc2)c(=O)ccn1C
InChIInChI=1S/C14H15NO2/c1-11-14(13(16)8-9-15(11)2)17-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeyACWNQYIVOPCVIE-UHFFFAOYSA-N
XLogP2.27
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1,2-dimethyl-3-phenylmethoxypyridin-4-one (CID 14956281) is 1,2-dimethyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1,2-dimethyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1,2-dimethyl-3-phenylmethoxypyridin-4-one is Cc1c(OCc2ccccc2)c(=O)ccn1C.
What is the InChIKey of 1,2-dimethyl-3-phenylmethoxypyridin-4-one?
The InChIKey is ACWNQYIVOPCVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-14(13(16)8-9-15(11)2)17-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-phenylmethoxypyridin-4-one?
1,2-dimethyl-3-phenylmethoxypyridin-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 14956281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).