1-[(3-tert-butylphenyl)methoxy]pyridin-2-one

C16H19NO2 — CID 71027301

IUPAC1-[(3-tert-butylphenyl)methoxy]pyridin-2-one
SMILESCC(C)(C)c1cccc(COn2ccccc2=O)c1
InChIInChI=1S/C16H19NO2/c1-16(2,3)14-8-6-7-13(11-14)12-19-17-10-5-4-9-15(17)18/h4-11H,12H2,1-3H3
InChIKeyFKLLSBPMVBCLTM-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.77
Rot. Bonds3

About 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one

1-[(3-tert-butylphenyl)methoxy]pyridin-2-one (PubChem CID 71027301) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-tert-butylphenyl)methoxy]pyridin-2-one
PubChem CID71027301
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[(3-tert-butylphenyl)methoxy]pyridin-2-one
SMILESCC(C)(C)c1cccc(COn2ccccc2=O)c1
InChIInChI=1S/C16H19NO2/c1-16(2,3)14-8-6-7-13(11-14)12-19-17-10-5-4-9-15(17)18/h4-11H,12H2,1-3H3
InChIKeyFKLLSBPMVBCLTM-UHFFFAOYSA-N
XLogP2.77
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one (CID 71027301) is 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one is CC(C)(C)c1cccc(COn2ccccc2=O)c1.
What is the InChIKey of 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one?
The InChIKey is FKLLSBPMVBCLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,3)14-8-6-7-13(11-14)12-19-17-10-5-4-9-15(17)18/h4-11H,12H2,1-3H3.
What are the key properties of 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one?
1-[(3-tert-butylphenyl)methoxy]pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 71027301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).