5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one

C23H23NO — CID 147437155

IUPAC5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
SMILESCc1ccccc1-c1ccc(CCCC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C23H23NO/c1-18-6-2-3-10-23(18)21-13-11-19(12-14-21)7-4-9-22(25)16-20-8-5-15-24-17-20/h2-3,5-6,8,10-15,17H,4,7,9,16H2,1H3
InChIKeyDVMWHMOVSDPHGP-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.19
Rot. Bonds7

About 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one

5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one (PubChem CID 147437155) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
PubChem CID147437155
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
SMILESCc1ccccc1-c1ccc(CCCC(=O)Cc2cccnc2)cc1
InChIInChI=1S/C23H23NO/c1-18-6-2-3-10-23(18)21-13-11-19(12-14-21)7-4-9-22(25)16-20-8-5-15-24-17-20/h2-3,5-6,8,10-15,17H,4,7,9,16H2,1H3
InChIKeyDVMWHMOVSDPHGP-UHFFFAOYSA-N
XLogP5.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one?
The IUPAC name of 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one (CID 147437155) is 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one.
What is the SMILES notation for 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one?
The canonical SMILES for 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one is Cc1ccccc1-c1ccc(CCCC(=O)Cc2cccnc2)cc1.
What is the InChIKey of 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one?
The InChIKey is DVMWHMOVSDPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-18-6-2-3-10-23(18)21-13-11-19(12-14-21)7-4-9-22(25)16-20-8-5-15-24-17-20/h2-3,5-6,8,10-15,17H,4,7,9,16H2,1H3.
What are the key properties of 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one?
5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one has a molecular weight of 329.44 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 147437155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).