5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole

C15H20ClNO2 — CID 171731898

IUPAC5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
SMILESCCOCCOc1cc2[nH]c(C(C)C)cc2cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-4-18-5-6-19-15-9-14-11(7-12(15)16)8-13(17-14)10(2)3/h7-10,17H,4-6H2,1-3H3
InChIKeyQHYIGXVMIFXXQR-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.36
Rot. Bonds6

About 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole

5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole (PubChem CID 171731898) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
PubChem CID171731898
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
SMILESCCOCCOc1cc2[nH]c(C(C)C)cc2cc1Cl
InChIInChI=1S/C15H20ClNO2/c1-4-18-5-6-19-15-9-14-11(7-12(15)16)8-13(17-14)10(2)3/h7-10,17H,4-6H2,1-3H3
InChIKeyQHYIGXVMIFXXQR-UHFFFAOYSA-N
XLogP4.36
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole?
The IUPAC name of 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole (CID 171731898) is 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole.
What is the SMILES notation for 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole?
The canonical SMILES for 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole is CCOCCOc1cc2[nH]c(C(C)C)cc2cc1Cl.
What is the InChIKey of 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole?
The InChIKey is QHYIGXVMIFXXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-4-18-5-6-19-15-9-14-11(7-12(15)16)8-13(17-14)10(2)3/h7-10,17H,4-6H2,1-3H3.
What are the key properties of 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole?
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole has a molecular weight of 281.78 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole is sourced from PubChem (CID 171731898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).