2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate

C17H14BrNO3 — CID 7492982

IUPAC2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate
SMILESO=C(OCCOc1cccc(Br)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14BrNO3/c18-12-4-3-5-13(10-12)21-8-9-22-17(20)15-11-19-16-7-2-1-6-14(15)16/h1-7,10-11,19H,8-9H2
InChIKeyUQRHHGNBWWXVAH-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.17
Rot. Bonds5

About 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate

2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate (PubChem CID 7492982) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate
PubChem CID7492982
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate
SMILESO=C(OCCOc1cccc(Br)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14BrNO3/c18-12-4-3-5-13(10-12)21-8-9-22-17(20)15-11-19-16-7-2-1-6-14(15)16/h1-7,10-11,19H,8-9H2
InChIKeyUQRHHGNBWWXVAH-UHFFFAOYSA-N
XLogP4.17
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 3913854
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694694
2-(3-bromophenoxy)ethyl 2-(carbamoylamino)-3-(1H-indol-3-yl)propanoate
CID 4043025
N-[4-(3-bromophenoxy)but-2-ynyl]-1H-indole-3-carboxamide
CID 90576568
2-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537
2-(4-bromophenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2094673
2-(3-bromophenoxy)ethyl 2-phenoxyacetate
CID 55313634
2-(3-bromophenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530365
2-(3-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431953
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
2-(3-bromophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4008929
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate?
The IUPAC name of 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate (CID 7492982) is 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate.
What is the SMILES notation for 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate?
The canonical SMILES for 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate is O=C(OCCOc1cccc(Br)c1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate?
The InChIKey is UQRHHGNBWWXVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c18-12-4-3-5-13(10-12)21-8-9-22-17(20)15-11-19-16-7-2-1-6-14(15)16/h1-7,10-11,19H,8-9H2.
What are the key properties of 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate?
2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate has a molecular weight of 360.21 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)ethyl 1H-indole-3-carboxylate is sourced from PubChem (CID 7492982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).