2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone

C22H21NO2 — CID 57033647

IUPAC2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone
SMILESO=C(CO)c1cccc(CC(Cc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c24-16-22(25)20-10-4-6-17(12-20)13-21(19-8-2-1-3-9-19)14-18-7-5-11-23-15-18/h1-12,15,21,24H,13-14,16H2
InChIKeyIDQFSADBYAIQEW-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.83
Rot. Bonds7

About 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone

2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone (PubChem CID 57033647) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone
PubChem CID57033647
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone
SMILESO=C(CO)c1cccc(CC(Cc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO2/c24-16-22(25)20-10-4-6-17(12-20)13-21(19-8-2-1-3-9-19)14-18-7-5-11-23-15-18/h1-12,15,21,24H,13-14,16H2
InChIKeyIDQFSADBYAIQEW-UHFFFAOYSA-N
XLogP3.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
2-amino-3-[3-(2-hydroxyacetyl)phenyl]propanoic acid
CID 175398480
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
3-[3-[4-fluoro-3-(sulfinatoamino)phenyl]-2-phenylpropyl]pyridine
CID 56989881
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
3-[2-(3-fluorophenyl)-2-phenylethyl]pyridine
CID 176898824
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
3-[2-phenyl-3-[3-(sulfinoamino)phenyl]propyl]benzoic acid
CID 56985380

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone (CID 57033647) is 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone is O=C(CO)c1cccc(CC(Cc2cccnc2)c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone?
The InChIKey is IDQFSADBYAIQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-16-22(25)20-10-4-6-17(12-20)13-21(19-8-2-1-3-9-19)14-18-7-5-11-23-15-18/h1-12,15,21,24H,13-14,16H2.
What are the key properties of 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone?
2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone has a molecular weight of 331.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-(2-phenyl-3-pyridin-3-ylpropyl)phenyl]ethanone is sourced from PubChem (CID 57033647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).