1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one

C20H17NO — CID 21320870

IUPAC1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one
SMILESC=Cn1cc(-c2ccccc2)c(=O)c(-c2ccc(C)cc2)c1
InChIInChI=1S/C20H17NO/c1-3-21-13-18(16-7-5-4-6-8-16)20(22)19(14-21)17-11-9-15(2)10-12-17/h3-14H,1H2,2H3
InChIKeyRLMWHADMLQMLQQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.59
Rot. Bonds3

About 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one

1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one (PubChem CID 21320870) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one.

Molecular Properties

Compound Name1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one
PubChem CID21320870
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one
SMILESC=Cn1cc(-c2ccccc2)c(=O)c(-c2ccc(C)cc2)c1
InChIInChI=1S/C20H17NO/c1-3-21-13-18(16-7-5-4-6-8-16)20(22)19(14-21)17-11-9-15(2)10-12-17/h3-14H,1H2,2H3
InChIKeyRLMWHADMLQMLQQ-UHFFFAOYSA-N
XLogP4.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-3-(4-methylphenyl)-4-nitropyrrole
CID 66549948
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 25016735
1,1'-biphenyl;toluene
CID 18366440
6-(4-methylphenyl)-4-phenyl-5-prop-2-enoxy-1H-pyridin-2-one
CID 171904871

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one?
The IUPAC name of 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one (CID 21320870) is 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one.
What is the SMILES notation for 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one?
The canonical SMILES for 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one is C=Cn1cc(-c2ccccc2)c(=O)c(-c2ccc(C)cc2)c1.
What is the InChIKey of 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one?
The InChIKey is RLMWHADMLQMLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-3-21-13-18(16-7-5-4-6-8-16)20(22)19(14-21)17-11-9-15(2)10-12-17/h3-14H,1H2,2H3.
What are the key properties of 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one?
1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one has a molecular weight of 287.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one is sourced from PubChem (CID 21320870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).