trityl hypobromite

C19H15BrO — CID 21394946

IUPACtrityl hypobromite
SMILESBrOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyRRWLEYIAHWDHOG-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.30
Rot. Bonds4

About trityl hypobromite

trityl hypobromite (PubChem CID 21394946) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is trityl hypobromite.

Molecular Properties

Compound Nametrityl hypobromite
PubChem CID21394946
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Nametrityl hypobromite
SMILESBrOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15BrO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKeyRRWLEYIAHWDHOG-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trityl hypobromite?
The IUPAC name of trityl hypobromite (CID 21394946) is trityl hypobromite.
What is the SMILES notation for trityl hypobromite?
The canonical SMILES for trityl hypobromite is BrOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of trityl hypobromite?
The InChIKey is RRWLEYIAHWDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H.
What are the key properties of trityl hypobromite?
trityl hypobromite has a molecular weight of 339.23 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trityl hypobromite is sourced from PubChem (CID 21394946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).