1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one

C14H13NO2 — CID 54194916

IUPAC1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one
SMILESCC(=O)COc1cnccc1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-11(16)10-17-14-9-15-8-7-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyAPODEHRJGXSWMR-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.72
Rot. Bonds4

About 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one

1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one (PubChem CID 54194916) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one.

Molecular Properties

Compound Name1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one
PubChem CID54194916
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one
SMILESCC(=O)COc1cnccc1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-11(16)10-17-14-9-15-8-7-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyAPODEHRJGXSWMR-UHFFFAOYSA-N
XLogP2.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenyl-3-pyridinyl) trifluoromethanesulfonate
CID 139986386
3-[2-(2-methylpropylsulfanyl)ethoxy]-4-phenylpyridine
CID 100657178
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
4-butoxy-3-phenylpyridine
CID 91002416
N,4-diphenylpyridine-3-carboxamide
CID 13115140
(3-acetamidophenyl) 2-(2-phenylphenoxy)acetate
CID 7937359
1-isoquinolin-7-yloxypropan-2-one
CID 82580297
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
CID 79620429
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one?
The IUPAC name of 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one (CID 54194916) is 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one.
What is the SMILES notation for 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one?
The canonical SMILES for 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one is CC(=O)COc1cnccc1-c1ccccc1.
What is the InChIKey of 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one?
The InChIKey is APODEHRJGXSWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11(16)10-17-14-9-15-8-7-13(14)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one?
1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one is sourced from PubChem (CID 54194916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).