ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate

C17H19NO2 — CID 67182542

IUPACethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)11-7-14-5-8-15(9-6-14)16-10-4-13(2)12-18-16/h4-6,8-10,12H,3,7,11H2,1-2H3
InChIKeyCNBLLWHUFOZMOJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.55
Rot. Bonds5

About ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate

ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate (PubChem CID 67182542) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
PubChem CID67182542
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)11-7-14-5-8-15(9-6-14)16-10-4-13(2)12-18-16/h4-6,8-10,12H,3,7,11H2,1-2H3
InChIKeyCNBLLWHUFOZMOJ-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 3-[4-[4-(methylamino)-2-pyridinyl]phenyl]propanoate
CID 66591311
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
ethyl (3R)-3-amino-3-(5-methyl-2-pyridinyl)propanoate
CID 81311502
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
ethyl 4-[(5-methyl-2-pyridinyl)oxy]butanoate
CID 58878874
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
ethyl 3-(4-ethylsulfonylphenyl)propanoate
CID 71283935
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate (CID 67182542) is ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate is CCOC(=O)CCc1ccc(-c2ccc(C)cn2)cc1.
What is the InChIKey of ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate?
The InChIKey is CNBLLWHUFOZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-20-17(19)11-7-14-5-8-15(9-6-14)16-10-4-13(2)12-18-16/h4-6,8-10,12H,3,7,11H2,1-2H3.
What are the key properties of ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate?
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate has a molecular weight of 269.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate is sourced from PubChem (CID 67182542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).