1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone

C20H15NO2 — CID 159062825

IUPAC1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
SMILESCC(=O)c1c(C(=O)c2ccccc2)cccc1-c1ccncc1
InChIInChI=1S/C20H15NO2/c1-14(22)19-17(15-10-12-21-13-11-15)8-5-9-18(19)20(23)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyJYRMJLMECLQTHF-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.18
Rot. Bonds4

About 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone

1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone (PubChem CID 159062825) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
PubChem CID159062825
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
SMILESCC(=O)c1c(C(=O)c2ccccc2)cccc1-c1ccncc1
InChIInChI=1S/C20H15NO2/c1-14(22)19-17(15-10-12-21-13-11-15)8-5-9-18(19)20(23)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyJYRMJLMECLQTHF-UHFFFAOYSA-N
XLogP4.18
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzoyl-6-phenylbenzoic acid
CID 174388121
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
CID 14765290
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
5-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 22118910
phenyl-(3-phenyl-2-sulfanylphenyl)methanone
CID 175169753
4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
CID 123619493
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
[2-amino-3-(2-amino-4-pyridin-4-ylpyrimidin-5-yl)phenyl]-phenylmethanone
CID 174478750
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone?
The IUPAC name of 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone (CID 159062825) is 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone is CC(=O)c1c(C(=O)c2ccccc2)cccc1-c1ccncc1.
What is the InChIKey of 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone?
The InChIKey is JYRMJLMECLQTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-14(22)19-17(15-10-12-21-13-11-15)8-5-9-18(19)20(23)16-6-3-2-4-7-16/h2-13H,1H3.
What are the key properties of 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone?
1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone has a molecular weight of 301.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone is sourced from PubChem (CID 159062825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).