3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one

C16H19NO2 — CID 44624992

IUPAC3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C16H19NO2/c1-16(2,3)13-10-11(7-8-14(13)19-4)12-6-5-9-17-15(12)18/h5-10H,1-4H3,(H,17,18)
InChIKeyJFZKILSPVGSTPQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.35
Rot. Bonds2

About 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one

3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one (PubChem CID 44624992) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one
PubChem CID44624992
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C16H19NO2/c1-16(2,3)13-10-11(7-8-14(13)19-4)12-6-5-9-17-15(12)18/h5-10H,1-4H3,(H,17,18)
InChIKeyJFZKILSPVGSTPQ-UHFFFAOYSA-N
XLogP3.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one (CID 44624992) is 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one is COc1ccc(-c2ccc[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one?
The InChIKey is JFZKILSPVGSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,3)13-10-11(7-8-14(13)19-4)12-6-5-9-17-15(12)18/h5-10H,1-4H3,(H,17,18).
What are the key properties of 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one?
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one has a molecular weight of 257.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-methoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 44624992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).