5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one

C17H21NO3 — CID 82063876

IUPAC5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESCC(C)(C)c1ccc(COc2c[nH]c(CO)cc2=O)cc1
InChIInChI=1S/C17H21NO3/c1-17(2,3)13-6-4-12(5-7-13)11-21-16-9-18-14(10-19)8-15(16)20/h4-9,19H,10-11H2,1-3H3,(H,18,20)
InChIKeyOGXLSUXNOHMUFL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.74
Rot. Bonds4

About 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one

5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 82063876) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID82063876
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESCC(C)(C)c1ccc(COc2c[nH]c(CO)cc2=O)cc1
InChIInChI=1S/C17H21NO3/c1-17(2,3)13-6-4-12(5-7-13)11-21-16-9-18-14(10-19)8-15(16)20/h4-9,19H,10-11H2,1-3H3,(H,18,20)
InChIKeyOGXLSUXNOHMUFL-UHFFFAOYSA-N
XLogP2.74
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one (CID 82063876) is 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one is CC(C)(C)c1ccc(COc2c[nH]c(CO)cc2=O)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is OGXLSUXNOHMUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(2,3)13-6-4-12(5-7-13)11-21-16-9-18-14(10-19)8-15(16)20/h4-9,19H,10-11H2,1-3H3,(H,18,20).
What are the key properties of 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one?
5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 287.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methoxy]-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 82063876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).