1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one

C14H15NO2 — CID 118907167

IUPAC1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
SMILESCOc1cc(C)ccc1Cn1ccccc1=O
InChIInChI=1S/C14H15NO2/c1-11-6-7-12(13(9-11)17-2)10-15-8-4-3-5-14(15)16/h3-9H,10H2,1-2H3
InChIKeyJVMKGIMRQKDBJE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.21
Rot. Bonds3

About 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one

1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one (PubChem CID 118907167) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
PubChem CID118907167
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
SMILESCOc1cc(C)ccc1Cn1ccccc1=O
InChIInChI=1S/C14H15NO2/c1-11-6-7-12(13(9-11)17-2)10-15-8-4-3-5-14(15)16/h3-9H,10H2,1-2H3
InChIKeyJVMKGIMRQKDBJE-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one (CID 118907167) is 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one is COc1cc(C)ccc1Cn1ccccc1=O.
What is the InChIKey of 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one?
The InChIKey is JVMKGIMRQKDBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-6-7-12(13(9-11)17-2)10-15-8-4-3-5-14(15)16/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one?
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 118907167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).