5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one

C14H15NO2 — CID 53217931

IUPAC5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one
SMILESCCOc1ccc(-c2ccc(=O)[nH]c2)c(C)c1
InChIInChI=1S/C14H15NO2/c1-3-17-12-5-6-13(10(2)8-12)11-4-7-14(16)15-9-11/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyBWBDZEWFUZOETK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.75
Rot. Bonds3

About 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one

5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one (PubChem CID 53217931) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one
PubChem CID53217931
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one
SMILESCCOc1ccc(-c2ccc(=O)[nH]c2)c(C)c1
InChIInChI=1S/C14H15NO2/c1-3-17-12-5-6-13(10(2)8-12)11-4-7-14(16)15-9-11/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyBWBDZEWFUZOETK-UHFFFAOYSA-N
XLogP2.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one (CID 53217931) is 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one is CCOc1ccc(-c2ccc(=O)[nH]c2)c(C)c1.
What is the InChIKey of 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one?
The InChIKey is BWBDZEWFUZOETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-12-5-6-13(10(2)8-12)11-4-7-14(16)15-9-11/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one?
5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 53217931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).