5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole

C22H22FNO3 — CID 24822879

IUPAC5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole
SMILESFCCOCCOCCOc1ccc(C#Cc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C22H22FNO3/c23-10-12-25-13-14-26-15-16-27-21-6-3-18(4-7-21)1-2-19-5-8-22-20(17-19)9-11-24-22/h3-9,11,17,24H,10,12-16H2
InChIKeyMSJMCPCMWUJNMH-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.95
Rot. Bonds9

About 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole

5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole (PubChem CID 24822879) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole.

Molecular Properties

Compound Name5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole
PubChem CID24822879
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole
SMILESFCCOCCOCCOc1ccc(C#Cc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C22H22FNO3/c23-10-12-25-13-14-26-15-16-27-21-6-3-18(4-7-21)1-2-19-5-8-22-20(17-19)9-11-24-22/h3-9,11,17,24H,10,12-16H2
InChIKeyMSJMCPCMWUJNMH-UHFFFAOYSA-N
XLogP3.95
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole?
The IUPAC name of 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole (CID 24822879) is 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole.
What is the SMILES notation for 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole?
The canonical SMILES for 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole is FCCOCCOCCOc1ccc(C#Cc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole?
The InChIKey is MSJMCPCMWUJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-10-12-25-13-14-26-15-16-27-21-6-3-18(4-7-21)1-2-19-5-8-22-20(17-19)9-11-24-22/h3-9,11,17,24H,10,12-16H2.
What are the key properties of 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole?
5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole has a molecular weight of 367.42 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]ethynyl]-1H-indole is sourced from PubChem (CID 24822879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).