1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone

C20H17NO — CID 153405908

IUPAC1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccccc2-c2ccccn2)c1
InChIInChI=1S/C20H17NO/c1-15-7-6-9-17(13-15)20(22)14-16-8-2-3-10-18(16)19-11-4-5-12-21-19/h2-13H,14H2,1H3
InChIKeyQJOMBJYYVJAFOB-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.48
Rot. Bonds4

About 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone

1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone (PubChem CID 153405908) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
PubChem CID153405908
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccccc2-c2ccccn2)c1
InChIInChI=1S/C20H17NO/c1-15-7-6-9-17(13-15)20(22)14-16-8-2-3-10-18(16)19-11-4-5-12-21-19/h2-13H,14H2,1H3
InChIKeyQJOMBJYYVJAFOB-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone (CID 153405908) is 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone is Cc1cccc(C(=O)Cc2ccccc2-c2ccccn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone?
The InChIKey is QJOMBJYYVJAFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-15-7-6-9-17(13-15)20(22)14-16-8-2-3-10-18(16)19-11-4-5-12-21-19/h2-13H,14H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone?
1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(2-pyridin-2-ylphenyl)ethanone is sourced from PubChem (CID 153405908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).