1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone

C16H17NO — CID 22282363

IUPAC1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
SMILESCC(C)c1cccc(C(=O)Cc2ccncc2)c1
InChIInChI=1S/C16H17NO/c1-12(2)14-4-3-5-15(11-14)16(18)10-13-6-8-17-9-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyKAQWJAPGOYPQMR-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.63
Rot. Bonds4

About 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone

1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone (PubChem CID 22282363) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
PubChem CID22282363
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
SMILESCC(C)c1cccc(C(=O)Cc2ccncc2)c1
InChIInChI=1S/C16H17NO/c1-12(2)14-4-3-5-15(11-14)16(18)10-13-6-8-17-9-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyKAQWJAPGOYPQMR-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
1-(3-methylsulfonylphenyl)-2-pyridin-4-ylethanone
CID 114981634
2-bromo-1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
CID 22282239
1-(5-bromo-3-pyridinyl)-2-(3-propan-2-ylphenyl)ethanone
CID 147453705
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827
2-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-1-(3-propan-2-ylphenyl)ethanone
CID 167662807
1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
CID 58514854
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone (CID 22282363) is 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone is CC(C)c1cccc(C(=O)Cc2ccncc2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone?
The InChIKey is KAQWJAPGOYPQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12(2)14-4-3-5-15(11-14)16(18)10-13-6-8-17-9-7-13/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone?
1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone has a molecular weight of 239.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 22282363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).