ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate

C19H19NO2 — CID 174402402

IUPACethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)12-9-14-7-10-15(11-8-14)17-13-20-18-6-4-3-5-16(17)18/h3-8,10-11,13,20H,2,9,12H2,1H3
InChIKeyQWYYNXDSWPTRCC-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.33
Rot. Bonds5

About ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate

ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate (PubChem CID 174402402) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate
PubChem CID174402402
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nameethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19NO2/c1-2-22-19(21)12-9-14-7-10-15(11-8-14)17-13-20-18-6-4-3-5-16(17)18/h3-8,10-11,13,20H,2,9,12H2,1H3
InChIKeyQWYYNXDSWPTRCC-UHFFFAOYSA-N
XLogP4.33
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
ethyl 4-(1H-indol-3-yl)-4-oxobutanoate
CID 22400544
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
ethyl 4-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 110996155
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
ethyl 3-[[cyano(1H-indol-3-yl)methyl]-ethylamino]propanoate
CID 84757936
ethyl 3-[4-(3-hydroxy-3-methylbutyl)phenyl]propanoate
CID 156698914
ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate (CID 174402402) is ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate is CCOC(=O)CCc1ccc(-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate?
The InChIKey is QWYYNXDSWPTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-2-22-19(21)12-9-14-7-10-15(11-8-14)17-13-20-18-6-4-3-5-16(17)18/h3-8,10-11,13,20H,2,9,12H2,1H3.
What are the key properties of ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate?
ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate has a molecular weight of 293.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(1H-indol-3-yl)phenyl]propanoate is sourced from PubChem (CID 174402402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).