4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one

C16H19NO2 — CID 127041113

IUPAC4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one
SMILESCOc1cc(CC(C)C)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C16H19NO2/c1-11(2)9-13-10-14(19-3)15(16(18)17-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,17,18)
InChIKeyUJZSTMKXKKBNHN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.25
Rot. Bonds4

About 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one

4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one (PubChem CID 127041113) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one
PubChem CID127041113
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one
SMILESCOc1cc(CC(C)C)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C16H19NO2/c1-11(2)9-13-10-14(19-3)15(16(18)17-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,17,18)
InChIKeyUJZSTMKXKKBNHN-UHFFFAOYSA-N
XLogP3.25
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one?
The IUPAC name of 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one (CID 127041113) is 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one?
The canonical SMILES for 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one is COc1cc(CC(C)C)[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one?
The InChIKey is UJZSTMKXKKBNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)9-13-10-14(19-3)15(16(18)17-13)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,17,18).
What are the key properties of 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one?
4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methylpropyl)-3-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 127041113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).