5-[2-(4-bromophenoxy)ethoxy]-1H-indole

C16H14BrNO2 — CID 80640825

IUPAC5-[2-(4-bromophenoxy)ethoxy]-1H-indole
SMILESBrc1ccc(OCCOc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C16H14BrNO2/c17-13-1-3-14(4-2-13)19-9-10-20-15-5-6-16-12(11-15)7-8-18-16/h1-8,11,18H,9-10H2
InChIKeyUAQVJSAZJUJMLF-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.39
Rot. Bonds5

About 5-[2-(4-bromophenoxy)ethoxy]-1H-indole

5-[2-(4-bromophenoxy)ethoxy]-1H-indole (PubChem CID 80640825) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-[2-(4-bromophenoxy)ethoxy]-1H-indole.

Molecular Properties

Compound Name5-[2-(4-bromophenoxy)ethoxy]-1H-indole
PubChem CID80640825
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name5-[2-(4-bromophenoxy)ethoxy]-1H-indole
SMILESBrc1ccc(OCCOc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C16H14BrNO2/c17-13-1-3-14(4-2-13)19-9-10-20-15-5-6-16-12(11-15)7-8-18-16/h1-8,11,18H,9-10H2
InChIKeyUAQVJSAZJUJMLF-UHFFFAOYSA-N
XLogP4.39
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.39
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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Related Compounds

2-(1H-indol-5-yloxy)ethanamine
CID 84655544
3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
5-heptoxy-1H-indole
CID 80642434
5-pent-4-ynoxy-1H-indole
CID 112548784
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304
5-(2-ethylsulfanylethoxy)-1H-indole
CID 115967778
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
5-methylsulfanyloxy-1H-indole
CID 139836435
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
CID 80640824

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenoxy)ethoxy]-1H-indole?
The IUPAC name of 5-[2-(4-bromophenoxy)ethoxy]-1H-indole (CID 80640825) is 5-[2-(4-bromophenoxy)ethoxy]-1H-indole.
What is the SMILES notation for 5-[2-(4-bromophenoxy)ethoxy]-1H-indole?
The canonical SMILES for 5-[2-(4-bromophenoxy)ethoxy]-1H-indole is Brc1ccc(OCCOc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[2-(4-bromophenoxy)ethoxy]-1H-indole?
The InChIKey is UAQVJSAZJUJMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-13-1-3-14(4-2-13)19-9-10-20-15-5-6-16-12(11-15)7-8-18-16/h1-8,11,18H,9-10H2.
What are the key properties of 5-[2-(4-bromophenoxy)ethoxy]-1H-indole?
5-[2-(4-bromophenoxy)ethoxy]-1H-indole has a molecular weight of 332.20 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenoxy)ethoxy]-1H-indole is sourced from PubChem (CID 80640825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).