1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one

C20H23NO — CID 72723755

IUPAC1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
SMILESO=C(CCc1ccccc1-c1ccccn1)C1CCCCC1
InChIInChI=1S/C20H23NO/c22-20(17-9-2-1-3-10-17)14-13-16-8-4-5-11-18(16)19-12-6-7-15-21-19/h4-8,11-12,15,17H,1-3,9-10,13-14H2
InChIKeyPRNNWEWROOCHLY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.83
Rot. Bonds5

About 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one

1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one (PubChem CID 72723755) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
PubChem CID72723755
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
SMILESO=C(CCc1ccccc1-c1ccccn1)C1CCCCC1
InChIInChI=1S/C20H23NO/c22-20(17-9-2-1-3-10-17)14-13-16-8-4-5-11-18(16)19-12-6-7-15-21-19/h4-8,11-12,15,17H,1-3,9-10,13-14H2
InChIKeyPRNNWEWROOCHLY-UHFFFAOYSA-N
XLogP4.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24725660
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1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
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1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine
CID 173207680
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
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1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
1-cyclopropyl-3-[2-(1,3-dioxolan-2-yl)-3-pyridinyl]propan-1-one
CID 146205231
2-(2-pyridin-2-ylphenyl)acetonitrile
CID 53446408
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
1-cyclobutyl-3-(2,3-dimethylphenyl)propan-1-one
CID 24726267

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
The IUPAC name of 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one (CID 72723755) is 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one is O=C(CCc1ccccc1-c1ccccn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
The InChIKey is PRNNWEWROOCHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(17-9-2-1-3-10-17)14-13-16-8-4-5-11-18(16)19-12-6-7-15-21-19/h4-8,11-12,15,17H,1-3,9-10,13-14H2.
What are the key properties of 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one?
1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one is sourced from PubChem (CID 72723755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).