1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one

C17H21NO2 — CID 652346

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one
SMILESCC(C)(C)c1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)14-7-9-15(10-8-14)20-13-12-18-11-5-4-6-16(18)19/h4-11H,12-13H2,1-3H3
InChIKeyUYRWVJUNWFLVOU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one

1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one (PubChem CID 652346) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one
PubChem CID652346
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one
SMILESCC(C)(C)c1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)14-7-9-15(10-8-14)20-13-12-18-11-5-4-6-16(18)19/h4-11H,12-13H2,1-3H3
InChIKeyUYRWVJUNWFLVOU-UHFFFAOYSA-N
XLogP3.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one (CID 652346) is 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one is CC(C)(C)c1ccc(OCCn2ccccc2=O)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one?
The InChIKey is UYRWVJUNWFLVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)14-7-9-15(10-8-14)20-13-12-18-11-5-4-6-16(18)19/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one?
1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 652346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).