ethyl 6-(7-chloroindol-1-yl)hexanoate

C16H20ClNO2 — CID 103474240

IUPACethyl 6-(7-chloroindol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C16H20ClNO2/c1-2-20-15(19)9-4-3-5-11-18-12-10-13-7-6-8-14(17)16(13)18/h6-8,10,12H,2-5,9,11H2,1H3
InChIKeyOMNGIJSPDLMPRD-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.42
Rot. Bonds7

About ethyl 6-(7-chloroindol-1-yl)hexanoate

ethyl 6-(7-chloroindol-1-yl)hexanoate (PubChem CID 103474240) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is ethyl 6-(7-chloroindol-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(7-chloroindol-1-yl)hexanoate
PubChem CID103474240
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Nameethyl 6-(7-chloroindol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C16H20ClNO2/c1-2-20-15(19)9-4-3-5-11-18-12-10-13-7-6-8-14(17)16(13)18/h6-8,10,12H,2-5,9,11H2,1H3
InChIKeyOMNGIJSPDLMPRD-UHFFFAOYSA-N
XLogP4.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(7-chloroindol-1-yl)hexanoate?
The IUPAC name of ethyl 6-(7-chloroindol-1-yl)hexanoate (CID 103474240) is ethyl 6-(7-chloroindol-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(7-chloroindol-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(7-chloroindol-1-yl)hexanoate is CCOC(=O)CCCCCn1ccc2cccc(Cl)c21.
What is the InChIKey of ethyl 6-(7-chloroindol-1-yl)hexanoate?
The InChIKey is OMNGIJSPDLMPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-2-20-15(19)9-4-3-5-11-18-12-10-13-7-6-8-14(17)16(13)18/h6-8,10,12H,2-5,9,11H2,1H3.
What are the key properties of ethyl 6-(7-chloroindol-1-yl)hexanoate?
ethyl 6-(7-chloroindol-1-yl)hexanoate has a molecular weight of 293.79 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(7-chloroindol-1-yl)hexanoate is sourced from PubChem (CID 103474240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).