5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one

C15H18BrNO2 — CID 148521037

IUPAC5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
SMILESCC(=O)CCCc1c[nH]c2ccc(OCCBr)cc12
InChIInChI=1S/C15H18BrNO2/c1-11(18)3-2-4-12-10-17-15-6-5-13(9-14(12)15)19-8-7-16/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyMOKKIWPICIGYFM-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.85
Rot. Bonds7

About 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one

5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one (PubChem CID 148521037) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one.

Molecular Properties

Compound Name5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
PubChem CID148521037
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
SMILESCC(=O)CCCc1c[nH]c2ccc(OCCBr)cc12
InChIInChI=1S/C15H18BrNO2/c1-11(18)3-2-4-12-10-17-15-6-5-13(9-14(12)15)19-8-7-16/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKeyMOKKIWPICIGYFM-UHFFFAOYSA-N
XLogP3.85
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine
CID 159935629
[3-(2-aminoethyl)-1H-indol-5-yl] 5-oxohexanoate
CID 66807359
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
4-[5-[tert-butyl(dimethyl)silyl]oxy-1H-indol-3-yl]butan-2-one
CID 24853704
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
CID 143093423
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one?
The IUPAC name of 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one (CID 148521037) is 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one.
What is the SMILES notation for 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one?
The canonical SMILES for 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one is CC(=O)CCCc1c[nH]c2ccc(OCCBr)cc12.
What is the InChIKey of 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one?
The InChIKey is MOKKIWPICIGYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11(18)3-2-4-12-10-17-15-6-5-13(9-14(12)15)19-8-7-16/h5-6,9-10,17H,2-4,7-8H2,1H3.
What are the key properties of 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one?
5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one has a molecular weight of 324.22 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one is sourced from PubChem (CID 148521037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).