1,1-diphenyl-1-pyridin-4-ylpropan-2-one

C20H17NO — CID 123238663

IUPAC1,1-diphenyl-1-pyridin-4-ylpropan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C20H17NO/c1-16(22)20(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-12-14-21-15-13-19/h2-15H,1H3
InChIKeyVQCSXUCPRWLKCD-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.01
Rot. Bonds4

About 1,1-diphenyl-1-pyridin-4-ylpropan-2-one

1,1-diphenyl-1-pyridin-4-ylpropan-2-one (PubChem CID 123238663) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 1,1-diphenyl-1-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1,1-diphenyl-1-pyridin-4-ylpropan-2-one
PubChem CID123238663
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name1,1-diphenyl-1-pyridin-4-ylpropan-2-one
SMILESCC(=O)C(c1ccccc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C20H17NO/c1-16(22)20(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-12-14-21-15-13-19/h2-15H,1H3
InChIKeyVQCSXUCPRWLKCD-UHFFFAOYSA-N
XLogP4.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-1-pyridin-4-ylpropan-2-one?
The IUPAC name of 1,1-diphenyl-1-pyridin-4-ylpropan-2-one (CID 123238663) is 1,1-diphenyl-1-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1,1-diphenyl-1-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1,1-diphenyl-1-pyridin-4-ylpropan-2-one is CC(=O)C(c1ccccc1)(c1ccccc1)c1ccncc1.
What is the InChIKey of 1,1-diphenyl-1-pyridin-4-ylpropan-2-one?
The InChIKey is VQCSXUCPRWLKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-16(22)20(17-8-4-2-5-9-17,18-10-6-3-7-11-18)19-12-14-21-15-13-19/h2-15H,1H3.
What are the key properties of 1,1-diphenyl-1-pyridin-4-ylpropan-2-one?
1,1-diphenyl-1-pyridin-4-ylpropan-2-one has a molecular weight of 287.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-1-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 123238663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).