benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate

C21H19NO3 — CID 54022974

IUPACbenzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate
SMILESCC(Oc1cc(-c2ccccc2)ccn1)C(=O)OCc1ccccc1
InChIInChI=1S/C21H19NO3/c1-16(21(23)24-15-17-8-4-2-5-9-17)25-20-14-19(12-13-22-20)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3
InChIKeyLAFJSXVVYJKMLQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.26
Rot. Bonds6

About benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate

benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate (PubChem CID 54022974) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Namebenzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate
PubChem CID54022974
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namebenzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate
SMILESCC(Oc1cc(-c2ccccc2)ccn1)C(=O)OCc1ccccc1
InChIInChI=1S/C21H19NO3/c1-16(21(23)24-15-17-8-4-2-5-9-17)25-20-14-19(12-13-22-20)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3
InChIKeyLAFJSXVVYJKMLQ-UHFFFAOYSA-N
XLogP4.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
1-O-methyl 2-O-(1-oxo-1-phenylmethoxypropan-2-yl) oxalate
CID 172654611
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 2-(2-acetylphenoxy)propanoate
CID 82312028
benzyl (2S)-2-aminopropanoate
CID 726858
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929
benzyl 4-(2-hydroxypropan-2-yl)pyridine-2-carboxylate
CID 167031341
benzyl 3-amino-3,3-dihydroxy-2-methylpropanoate
CID 126485622
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate?
The IUPAC name of benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate (CID 54022974) is benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate.
What is the SMILES notation for benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate?
The canonical SMILES for benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate is CC(Oc1cc(-c2ccccc2)ccn1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate?
The InChIKey is LAFJSXVVYJKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-16(21(23)24-15-17-8-4-2-5-9-17)25-20-14-19(12-13-22-20)18-10-6-3-7-11-18/h2-14,16H,15H2,1H3.
What are the key properties of benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate?
benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate has a molecular weight of 333.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4-phenyl-2-pyridinyl)oxy]propanoate is sourced from PubChem (CID 54022974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).