5-bromo-2-hydroperoxyphenol

C6H5BrO3 — CID 88803523

IUPAC5-bromo-2-hydroperoxyphenol
SMILESOOc1ccc(Br)cc1O
InChIInChI=1S/C6H5BrO3/c7-4-1-2-6(10-9)5(8)3-4/h1-3,8-9H
InChIKeyOIQHPMPLNRIMAA-UHFFFAOYSA-N
MW205.01 g/mol
LogP2.01
Rot. Bonds1

About 5-bromo-2-hydroperoxyphenol

5-bromo-2-hydroperoxyphenol (PubChem CID 88803523) has the molecular formula C6H5BrO3 and a molecular weight of 205.01 g/mol. Its IUPAC name is 5-bromo-2-hydroperoxyphenol.

Molecular Properties

Compound Name5-bromo-2-hydroperoxyphenol
PubChem CID88803523
Molecular FormulaC6H5BrO3
Molecular Weight205.01 g/mol
Exact Mass203.94
IUPAC Name5-bromo-2-hydroperoxyphenol
SMILESOOc1ccc(Br)cc1O
InChIInChI=1S/C6H5BrO3/c7-4-1-2-6(10-9)5(8)3-4/h1-3,8-9H
InChIKeyOIQHPMPLNRIMAA-UHFFFAOYSA-N
XLogP2.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroperoxyphenol?
The IUPAC name of 5-bromo-2-hydroperoxyphenol (CID 88803523) is 5-bromo-2-hydroperoxyphenol.
What is the SMILES notation for 5-bromo-2-hydroperoxyphenol?
The canonical SMILES for 5-bromo-2-hydroperoxyphenol is OOc1ccc(Br)cc1O.
What is the InChIKey of 5-bromo-2-hydroperoxyphenol?
The InChIKey is OIQHPMPLNRIMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO3/c7-4-1-2-6(10-9)5(8)3-4/h1-3,8-9H.
What are the key properties of 5-bromo-2-hydroperoxyphenol?
5-bromo-2-hydroperoxyphenol has a molecular weight of 205.01 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroperoxyphenol is sourced from PubChem (CID 88803523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).