ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate

C23H23NO2 — CID 174421102

IUPACethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
SMILESCCOC(=O)CC(Cc1ccc(-c2ccccn2)cc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-2-26-23(25)17-21(19-8-4-3-5-9-19)16-18-11-13-20(14-12-18)22-10-6-7-15-24-22/h3-15,21H,2,16-17H2,1H3
InChIKeyCFQZTALLKFOMGM-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.03
Rot. Bonds7

About ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate

ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate (PubChem CID 174421102) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
PubChem CID174421102
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Nameethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate
SMILESCCOC(=O)CC(Cc1ccc(-c2ccccn2)cc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c1-2-26-23(25)17-21(19-8-4-3-5-9-19)16-18-11-13-20(14-12-18)22-10-6-7-15-24-22/h3-15,21H,2,16-17H2,1H3
InChIKeyCFQZTALLKFOMGM-UHFFFAOYSA-N
XLogP5.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
CID 171866921
tert-butyl 4-amino-3-(4-pyridin-2-ylphenyl)butanoate
CID 57256728
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 22496088
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
1-(4-pyridin-2-ylphenyl)hexan-2-ylcarbamic acid
CID 68975555
N-methyl-1-phenyl-2-(4-pyridin-2-ylphenyl)ethanamine
CID 82540649
1-(4-pyridin-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889160
(3S)-5-ethoxy-5-oxo-3-phenylpentanoate
CID 71354440
5-ethoxy-5-oxo-3-phenylpentanoate
CID 71341671
[(2S,4S,5S)-5-amino-4-hydroxy-6,7-diphenyl-1-(4-pyridin-2-ylphenyl)heptan-2-yl]carbamic acid
CID 67406953
N-methyl-N-propan-2-yl-2-(4-pyridin-2-ylphenyl)acetamide
CID 138548882

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate?
The IUPAC name of ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate (CID 174421102) is ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate.
What is the SMILES notation for ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate?
The canonical SMILES for ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate is CCOC(=O)CC(Cc1ccc(-c2ccccn2)cc1)c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate?
The InChIKey is CFQZTALLKFOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-26-23(25)17-21(19-8-4-3-5-9-19)16-18-11-13-20(14-12-18)22-10-6-7-15-24-22/h3-15,21H,2,16-17H2,1H3.
What are the key properties of ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate?
ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate has a molecular weight of 345.44 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-4-(4-pyridin-2-ylphenyl)butanoate is sourced from PubChem (CID 174421102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).