ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate

C21H21NO5 — CID 70102427

IUPACethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate
SMILESCCOC(=O)c1ccccc1COC(=O)C(C)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H21NO5/c1-3-25-21(24)18-7-5-4-6-16(18)13-26-20(23)14(2)27-17-8-9-19-15(12-17)10-11-22-19/h4-12,14,22H,3,13H2,1-2H3
InChIKeyLUIAJQKPSJPZCF-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.86
Rot. Bonds7

About ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate

ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate (PubChem CID 70102427) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate
PubChem CID70102427
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Nameethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate
SMILESCCOC(=O)c1ccccc1COC(=O)C(C)Oc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H21NO5/c1-3-25-21(24)18-7-5-4-6-16(18)13-26-20(23)14(2)27-17-8-9-19-15(12-17)10-11-22-19/h4-12,14,22H,3,13H2,1-2H3
InChIKeyLUIAJQKPSJPZCF-UHFFFAOYSA-N
XLogP3.86
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8559387
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
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ethyl (2S)-2-(4-methoxyphenoxy)propanoate
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CID 130275684
diethyl 4-(1H-indol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate?
The IUPAC name of ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate (CID 70102427) is ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate.
What is the SMILES notation for ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate?
The canonical SMILES for ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate is CCOC(=O)c1ccccc1COC(=O)C(C)Oc1ccc2[nH]ccc2c1.
What is the InChIKey of ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate?
The InChIKey is LUIAJQKPSJPZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-25-21(24)18-7-5-4-6-16(18)13-26-20(23)14(2)27-17-8-9-19-15(12-17)10-11-22-19/h4-12,14,22H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate?
ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate has a molecular weight of 367.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate is sourced from PubChem (CID 70102427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).