1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one

C16H17NO — CID 141325078

IUPAC1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one
SMILESCc1cc(CC(=O)Cc2ccccc2)cc(C)n1
InChIInChI=1S/C16H17NO/c1-12-8-15(9-13(2)17-12)11-16(18)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyBDRUAQZFWMIDRJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds4

About 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one

1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one (PubChem CID 141325078) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one
PubChem CID141325078
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one
SMILESCc1cc(CC(=O)Cc2ccccc2)cc(C)n1
InChIInChI=1S/C16H17NO/c1-12-8-15(9-13(2)17-12)11-16(18)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyBDRUAQZFWMIDRJ-UHFFFAOYSA-N
XLogP3.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(2,3-dimethylquinoxalin-6-yl)-3-phenylpropan-2-one
CID 158965713
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
2,4-bis(2,6-dimethyl-4-pyridinyl)-1,5-diphenylpentan-3-one
CID 150680372
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
1-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropan-2-one
CID 159883027
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one (CID 141325078) is 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one is Cc1cc(CC(=O)Cc2ccccc2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one?
The InChIKey is BDRUAQZFWMIDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-8-15(9-13(2)17-12)11-16(18)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one?
1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-3-phenylpropan-2-one is sourced from PubChem (CID 141325078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).