3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one

C13H13NO2 — CID 50981618

IUPAC3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(C)cc1-c1ccc[nH]c1=O
InChIInChI=1S/C13H13NO2/c1-9-5-6-12(16-2)11(8-9)10-4-3-7-14-13(10)15/h3-8H,1-2H3,(H,14,15)
InChIKeyQKONBOVQGYLEQA-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.36
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one

3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one (PubChem CID 50981618) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one
PubChem CID50981618
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(C)cc1-c1ccc[nH]c1=O
InChIInChI=1S/C13H13NO2/c1-9-5-6-12(16-2)11(8-9)10-4-3-7-14-13(10)15/h3-8H,1-2H3,(H,14,15)
InChIKeyQKONBOVQGYLEQA-UHFFFAOYSA-N
XLogP2.36
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one (CID 50981618) is 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one is COc1ccc(C)cc1-c1ccc[nH]c1=O.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one?
The InChIKey is QKONBOVQGYLEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-5-6-12(16-2)11(8-9)10-4-3-7-14-13(10)15/h3-8H,1-2H3,(H,14,15).
What are the key properties of 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one?
3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 50981618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).