6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one

C17H21NO — CID 169250058

IUPAC6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(-c2ccc(C(C)(C)C)cc2)cc(=O)c1C
InChIInChI=1S/C17H21NO/c1-11-12(2)18-15(10-16(11)19)13-6-8-14(9-7-13)17(3,4)5/h6-10H,1-5H3,(H,18,19)
InChIKeyBZMFORHDDPUSIH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.96
Rot. Bonds1

About 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one

6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one (PubChem CID 169250058) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one
PubChem CID169250058
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(-c2ccc(C(C)(C)C)cc2)cc(=O)c1C
InChIInChI=1S/C17H21NO/c1-11-12(2)18-15(10-16(11)19)13-6-8-14(9-7-13)17(3,4)5/h6-10H,1-5H3,(H,18,19)
InChIKeyBZMFORHDDPUSIH-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
CID 10541755
2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009
4-[5-(4-tert-butylphenyl)-1H-pyrrol-2-yl]benzoic acid
CID 170555585
6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
CID 54891238
4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 135619683
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684
1-tert-butyl-4-methylbenzene
CID 163486601
6-(4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15326046
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
ethyl 2-(4-aminophenyl)-5-(4-tert-butylphenyl)-1H-pyrrole-3-carboxylate
CID 170695718
2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one
CID 136692476
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one?
The IUPAC name of 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one (CID 169250058) is 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one is Cc1[nH]c(-c2ccc(C(C)(C)C)cc2)cc(=O)c1C.
What is the InChIKey of 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one?
The InChIKey is BZMFORHDDPUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-12(2)18-15(10-16(11)19)13-6-8-14(9-7-13)17(3,4)5/h6-10H,1-5H3,(H,18,19).
What are the key properties of 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one?
6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one has a molecular weight of 255.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-2,3-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 169250058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).