3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one

C14H15NO2 — CID 71186321

IUPAC3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one
SMILESCc1cccc(CCc2c[nH]c(=O)c(O)c2)c1
InChIInChI=1S/C14H15NO2/c1-10-3-2-4-11(7-10)5-6-12-8-13(16)14(17)15-9-12/h2-4,7-9,16H,5-6H2,1H3,(H,15,17)
InChIKeyLTQKSMLOIURVBB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.17
Rot. Bonds3

About 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one

3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one (PubChem CID 71186321) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one
PubChem CID71186321
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one
SMILESCc1cccc(CCc2c[nH]c(=O)c(O)c2)c1
InChIInChI=1S/C14H15NO2/c1-10-3-2-4-11(7-10)5-6-12-8-13(16)14(17)15-9-12/h2-4,7-9,16H,5-6H2,1H3,(H,15,17)
InChIKeyLTQKSMLOIURVBB-UHFFFAOYSA-N
XLogP2.17
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one (CID 71186321) is 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one is Cc1cccc(CCc2c[nH]c(=O)c(O)c2)c1.
What is the InChIKey of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one?
The InChIKey is LTQKSMLOIURVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-3-2-4-11(7-10)5-6-12-8-13(16)14(17)15-9-12/h2-4,7-9,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one?
3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[2-(3-methylphenyl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 71186321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).