(1-hexylindol-5-yl) hypobromite

C14H18BrNO — CID 23151412

IUPAC(1-hexylindol-5-yl) hypobromite
SMILESCCCCCCn1ccc2cc(OBr)ccc21
InChIInChI=1S/C14H18BrNO/c1-2-3-4-5-9-16-10-8-12-11-13(17-15)6-7-14(12)16/h6-8,10-11H,2-5,9H2,1H3
InChIKeyIKSUIXVCDMHCNC-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.91
Rot. Bonds6

About (1-hexylindol-5-yl) hypobromite

(1-hexylindol-5-yl) hypobromite (PubChem CID 23151412) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is (1-hexylindol-5-yl) hypobromite.

Molecular Properties

Compound Name(1-hexylindol-5-yl) hypobromite
PubChem CID23151412
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name(1-hexylindol-5-yl) hypobromite
SMILESCCCCCCn1ccc2cc(OBr)ccc21
InChIInChI=1S/C14H18BrNO/c1-2-3-4-5-9-16-10-8-12-11-13(17-15)6-7-14(12)16/h6-8,10-11H,2-5,9H2,1H3
InChIKeyIKSUIXVCDMHCNC-UHFFFAOYSA-N
XLogP4.91
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.91
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-octylindol-5-yl) hypobromite
CID 23151417
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
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
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
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765

Frequently Asked Questions

What is the IUPAC name of (1-hexylindol-5-yl) hypobromite?
The IUPAC name of (1-hexylindol-5-yl) hypobromite (CID 23151412) is (1-hexylindol-5-yl) hypobromite.
What is the SMILES notation for (1-hexylindol-5-yl) hypobromite?
The canonical SMILES for (1-hexylindol-5-yl) hypobromite is CCCCCCn1ccc2cc(OBr)ccc21.
What is the InChIKey of (1-hexylindol-5-yl) hypobromite?
The InChIKey is IKSUIXVCDMHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-3-4-5-9-16-10-8-12-11-13(17-15)6-7-14(12)16/h6-8,10-11H,2-5,9H2,1H3.
What are the key properties of (1-hexylindol-5-yl) hypobromite?
(1-hexylindol-5-yl) hypobromite has a molecular weight of 296.21 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexylindol-5-yl) hypobromite is sourced from PubChem (CID 23151412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).