6-bromo-2-octyl-1H-indole

C16H22BrN — CID 86224131

IUPAC6-bromo-2-octyl-1H-indole
SMILESCCCCCCCCc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H22BrN/c1-2-3-4-5-6-7-8-15-11-13-9-10-14(17)12-16(13)18-15/h9-12,18H,2-8H2,1H3
InChIKeyUWDRAWAJLNZWRR-UHFFFAOYSA-N
MW308.26 g/mol
LogP5.83
Rot. Bonds7

About 6-bromo-2-octyl-1H-indole

6-bromo-2-octyl-1H-indole (PubChem CID 86224131) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-bromo-2-octyl-1H-indole.

Molecular Properties

Compound Name6-bromo-2-octyl-1H-indole
PubChem CID86224131
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name6-bromo-2-octyl-1H-indole
SMILESCCCCCCCCc1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C16H22BrN/c1-2-3-4-5-6-7-8-15-11-13-9-10-14(17)12-16(13)18-15/h9-12,18H,2-8H2,1H3
InChIKeyUWDRAWAJLNZWRR-UHFFFAOYSA-N
XLogP5.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.26
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
2-butyl-1H-indol-6-amine
CID 119094791
6-bromo-2-(ethylsulfonylmethyl)-1H-indole
CID 117180107
ethyl 2-heptyl-1H-indole-6-carboxylate
CID 12799931
ethyl 2-undecyl-1H-indole-6-carboxylate
CID 12799929
1-(6-bromo-1H-indol-2-yl)hexan-1-one
CID 158524896
butyl 2-dodecyl-1H-indole-6-carboxylate
CID 12799939
6-bromo-2-butyl-1H-quinolin-4-one
CID 155408645
2-octyl-5-phenyl-1H-indole
CID 134909135
2-bromo-5-dodecyl-4H-thieno[3,2-b]pyrrole
CID 150725270
formamide;2-pentyl-1H-indole;piperazine
CID 174799337

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-octyl-1H-indole?
The IUPAC name of 6-bromo-2-octyl-1H-indole (CID 86224131) is 6-bromo-2-octyl-1H-indole.
What is the SMILES notation for 6-bromo-2-octyl-1H-indole?
The canonical SMILES for 6-bromo-2-octyl-1H-indole is CCCCCCCCc1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-octyl-1H-indole?
The InChIKey is UWDRAWAJLNZWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-2-3-4-5-6-7-8-15-11-13-9-10-14(17)12-16(13)18-15/h9-12,18H,2-8H2,1H3.
What are the key properties of 6-bromo-2-octyl-1H-indole?
6-bromo-2-octyl-1H-indole has a molecular weight of 308.26 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-octyl-1H-indole is sourced from PubChem (CID 86224131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).