3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one

C27H25NO2 — CID 14303736

IUPAC3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one
SMILESCc1c(-c2cccc(OC(C)C)c2)n(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C27H25NO2/c1-19(2)30-24-16-10-13-22(17-24)27-20(3)26(29)18-25(21-11-6-4-7-12-21)28(27)23-14-8-5-9-15-23/h4-19H,1-3H3
InChIKeyLXUXQEGYNVRYMI-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.27
Rot. Bonds5

About 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one

3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one (PubChem CID 14303736) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one.

Molecular Properties

Compound Name3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one
PubChem CID14303736
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one
SMILESCc1c(-c2cccc(OC(C)C)c2)n(-c2ccccc2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C27H25NO2/c1-19(2)30-24-16-10-13-22(17-24)27-20(3)26(29)18-25(21-11-6-4-7-12-21)28(27)23-14-8-5-9-15-23/h4-19H,1-3H3
InChIKeyLXUXQEGYNVRYMI-UHFFFAOYSA-N
XLogP6.27
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303546
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
2-(2,3-dimethylphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303765
2-(2-bromophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303720
2-(2-chlorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303714
2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303770
1-(2,3-dimethylphenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14500012
6-(2,5-dimethoxyphenyl)-3-methyl-1,2-diphenylpyridin-4-one
CID 14303860
2-cyclopentyl-3-methyl-1,6-diphenylpyridin-4-one
CID 14621245
1-(2,4-dichlorophenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303623
1,2,6-triphenylpyridin-4-one
CID 13088641
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one?
The IUPAC name of 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one (CID 14303736) is 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one.
What is the SMILES notation for 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one?
The canonical SMILES for 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one is Cc1c(-c2cccc(OC(C)C)c2)n(-c2ccccc2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one?
The InChIKey is LXUXQEGYNVRYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-19(2)30-24-16-10-13-22(17-24)27-20(3)26(29)18-25(21-11-6-4-7-12-21)28(27)23-14-8-5-9-15-23/h4-19H,1-3H3.
What are the key properties of 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one?
3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one has a molecular weight of 395.50 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,6-diphenyl-2-(3-propan-2-yloxyphenyl)pyridin-4-one is sourced from PubChem (CID 14303736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).