2-phenoxyethyl hypobromite

C8H9BrO2 — CID 139931807

IUPAC2-phenoxyethyl hypobromite
SMILESBrOCCOc1ccccc1
InChIInChI=1S/C8H9BrO2/c9-11-7-6-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVBCJSGJYIOHQAT-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.39
Rot. Bonds4

About 2-phenoxyethyl hypobromite

2-phenoxyethyl hypobromite (PubChem CID 139931807) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is 2-phenoxyethyl hypobromite.

Molecular Properties

Compound Name2-phenoxyethyl hypobromite
PubChem CID139931807
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name2-phenoxyethyl hypobromite
SMILESBrOCCOc1ccccc1
InChIInChI=1S/C8H9BrO2/c9-11-7-6-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyVBCJSGJYIOHQAT-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.39
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

2-phenoxyethylmercury
CID 163598363
CID 58544227
CID 58544227
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-(3-bromopropoxy)ethoxybenzene
CID 43135436
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
N-(2-phenoxyethoxy)methanamine
CID 117126931
3-phenoxypropane-1-thiol
CID 18792707
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
1-oxido-4-(2-phenoxyethoxy)pyridin-1-ium
CID 122456025
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl hypobromite?
The IUPAC name of 2-phenoxyethyl hypobromite (CID 139931807) is 2-phenoxyethyl hypobromite.
What is the SMILES notation for 2-phenoxyethyl hypobromite?
The canonical SMILES for 2-phenoxyethyl hypobromite is BrOCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl hypobromite?
The InChIKey is VBCJSGJYIOHQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c9-11-7-6-10-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-phenoxyethyl hypobromite?
2-phenoxyethyl hypobromite has a molecular weight of 217.06 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl hypobromite is sourced from PubChem (CID 139931807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).