3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one

C17H21NO2 — CID 44624084

IUPAC3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one
SMILESCOc1c(C)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C17H21NO2/c1-11-9-12(13-7-6-8-18-16(13)19)10-14(15(11)20-5)17(2,3)4/h6-10H,1-5H3,(H,18,19)
InChIKeyFWQAQVJMRONXJB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.66
Rot. Bonds2

About 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one

3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one (PubChem CID 44624084) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one
PubChem CID44624084
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one
SMILESCOc1c(C)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C
InChIInChI=1S/C17H21NO2/c1-11-9-12(13-7-6-8-18-16(13)19)10-14(15(11)20-5)17(2,3)4/h6-10H,1-5H3,(H,18,19)
InChIKeyFWQAQVJMRONXJB-UHFFFAOYSA-N
XLogP3.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.66
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-methoxy-5-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one (CID 44624084) is 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one is COc1c(C)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one?
The InChIKey is FWQAQVJMRONXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-9-12(13-7-6-8-18-16(13)19)10-14(15(11)20-5)17(2,3)4/h6-10H,1-5H3,(H,18,19).
What are the key properties of 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one?
3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1H-pyridin-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.66, 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-methoxy-5-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 44624084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).