2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one

C16H21NO2 — CID 16726138

IUPAC2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one
SMILESCOc1ccc(CC2N(C)C=CC(=O)C2(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-16(2)14(17(3)10-9-15(16)18)11-12-5-7-13(19-4)8-6-12/h5-10,14H,11H2,1-4H3
InChIKeyRBPZKSKQTIUXAE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.66
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one

2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one (PubChem CID 16726138) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one
PubChem CID16726138
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one
SMILESCOc1ccc(CC2N(C)C=CC(=O)C2(C)C)cc1
InChIInChI=1S/C16H21NO2/c1-16(2)14(17(3)10-9-15(16)18)11-12-5-7-13(19-4)8-6-12/h5-10,14H,11H2,1-4H3
InChIKeyRBPZKSKQTIUXAE-UHFFFAOYSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one (CID 16726138) is 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one is COc1ccc(CC2N(C)C=CC(=O)C2(C)C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one?
The InChIKey is RBPZKSKQTIUXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2)14(17(3)10-9-15(16)18)11-12-5-7-13(19-4)8-6-12/h5-10,14H,11H2,1-4H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one?
2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one is sourced from PubChem (CID 16726138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).