(1-octylindol-5-yl) hypobromite

C16H22BrNO — CID 23151417

IUPAC(1-octylindol-5-yl) hypobromite
SMILESCCCCCCCCn1ccc2cc(OBr)ccc21
InChIInChI=1S/C16H22BrNO/c1-2-3-4-5-6-7-11-18-12-10-14-13-15(19-17)8-9-16(14)18/h8-10,12-13H,2-7,11H2,1H3
InChIKeyFIDVRZMCWPNLSP-UHFFFAOYSA-N
MW324.26 g/mol
LogP5.69
Rot. Bonds8

About (1-octylindol-5-yl) hypobromite

(1-octylindol-5-yl) hypobromite (PubChem CID 23151417) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is (1-octylindol-5-yl) hypobromite.

Molecular Properties

Compound Name(1-octylindol-5-yl) hypobromite
PubChem CID23151417
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name(1-octylindol-5-yl) hypobromite
SMILESCCCCCCCCn1ccc2cc(OBr)ccc21
InChIInChI=1S/C16H22BrNO/c1-2-3-4-5-6-7-11-18-12-10-14-13-15(19-17)8-9-16(14)18/h8-10,12-13H,2-7,11H2,1H3
InChIKeyFIDVRZMCWPNLSP-UHFFFAOYSA-N
XLogP5.69
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.26
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-hexylindol-5-yl) hypobromite
CID 23151412
1-pentylindol-5-ol
CID 142952081
1-(5-iodopentyl)-5-methoxyindole
CID 141021512
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
6,18-di(undecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783653
6,18-di(tridecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783644
6,18-diheptyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783572
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
1-(3-ethylsulfonylpropyl)-5-methoxyindole
CID 116619453
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
1-(3-ethoxypropyl)-5-propan-2-yloxyindole
CID 116625752

Frequently Asked Questions

What is the IUPAC name of (1-octylindol-5-yl) hypobromite?
The IUPAC name of (1-octylindol-5-yl) hypobromite (CID 23151417) is (1-octylindol-5-yl) hypobromite.
What is the SMILES notation for (1-octylindol-5-yl) hypobromite?
The canonical SMILES for (1-octylindol-5-yl) hypobromite is CCCCCCCCn1ccc2cc(OBr)ccc21.
What is the InChIKey of (1-octylindol-5-yl) hypobromite?
The InChIKey is FIDVRZMCWPNLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-2-3-4-5-6-7-11-18-12-10-14-13-15(19-17)8-9-16(14)18/h8-10,12-13H,2-7,11H2,1H3.
What are the key properties of (1-octylindol-5-yl) hypobromite?
(1-octylindol-5-yl) hypobromite has a molecular weight of 324.26 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-octylindol-5-yl) hypobromite is sourced from PubChem (CID 23151417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).