ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate

C23H25NO3 — CID 90083435

IUPACethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2c1CCC2
InChIInChI=1S/C23H25NO3/c1-2-26-23(25)22-19(18-10-3-4-13-20(18)24-22)12-7-15-27-21-14-6-9-16-8-5-11-17(16)21/h3-4,6,9-10,13-14,24H,2,5,7-8,11-12,15H2,1H3
InChIKeyHAZDNJYPFPLTAQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.84
Rot. Bonds7

About ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate

ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate (PubChem CID 90083435) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate
PubChem CID90083435
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Nameethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2c1CCC2
InChIInChI=1S/C23H25NO3/c1-2-26-23(25)22-19(18-10-3-4-13-20(18)24-22)12-7-15-27-21-14-6-9-16-8-5-11-17(16)21/h3-4,6,9-10,13-14,24H,2,5,7-8,11-12,15H2,1H3
InChIKeyHAZDNJYPFPLTAQ-UHFFFAOYSA-N
XLogP4.84
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate (CID 90083435) is ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2c1CCC2.
What is the InChIKey of ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate?
The InChIKey is HAZDNJYPFPLTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-2-26-23(25)22-19(18-10-3-4-13-20(18)24-22)12-7-15-27-21-14-6-9-16-8-5-11-17(16)21/h3-4,6,9-10,13-14,24H,2,5,7-8,11-12,15H2,1H3.
What are the key properties of ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate?
ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 90083435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).