1-(4-bromobutoxy)indole

C12H14BrNO — CID 175976502

IUPAC1-(4-bromobutoxy)indole
SMILESBrCCCCOn1ccc2ccccc21
InChIInChI=1S/C12H14BrNO/c13-8-3-4-10-15-14-9-7-11-5-1-2-6-12(11)14/h1-2,5-7,9H,3-4,8,10H2
InChIKeySZOHIMJVZRGNNF-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-bromobutoxy)indole

1-(4-bromobutoxy)indole (PubChem CID 175976502) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(4-bromobutoxy)indole.

Molecular Properties

Compound Name1-(4-bromobutoxy)indole
PubChem CID175976502
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(4-bromobutoxy)indole
SMILESBrCCCCOn1ccc2ccccc21
InChIInChI=1S/C12H14BrNO/c13-8-3-4-10-15-14-9-7-11-5-1-2-6-12(11)14/h1-2,5-7,9H,3-4,8,10H2
InChIKeySZOHIMJVZRGNNF-UHFFFAOYSA-N
XLogP3.24
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-phenoxyphenoxy)propoxy]indole
CID 142737096
O-indol-1-ylhydroxylamine
CID 57016853
1-(4-chlorophenyl)-2-indol-1-yloxyethanone
CID 70134400
ethyl 2-indol-1-yloxyacetate
CID 19786741
1-[3-[3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]propoxy]indole
CID 86587298
diindol-1-yl carbonate
CID 154640293
2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole
CID 22643420
butyl indol-1-yl carbonate
CID 67701904
1-(4-bromobutyl)-2-methylindole
CID 14785376
2-(9-bromononoxy)naphthalene
CID 105343234
bromoethane;1-methylindole
CID 90687414
indol-1-yl 2-bromo-2-methylpropanoate
CID 175398791

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutoxy)indole?
The IUPAC name of 1-(4-bromobutoxy)indole (CID 175976502) is 1-(4-bromobutoxy)indole.
What is the SMILES notation for 1-(4-bromobutoxy)indole?
The canonical SMILES for 1-(4-bromobutoxy)indole is BrCCCCOn1ccc2ccccc21.
What is the InChIKey of 1-(4-bromobutoxy)indole?
The InChIKey is SZOHIMJVZRGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-8-3-4-10-15-14-9-7-11-5-1-2-6-12(11)14/h1-2,5-7,9H,3-4,8,10H2.
What are the key properties of 1-(4-bromobutoxy)indole?
1-(4-bromobutoxy)indole has a molecular weight of 268.15 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutoxy)indole is sourced from PubChem (CID 175976502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).