phosphorosoperoxybenzene

C6H5O3P — CID 154486762

IUPACphosphorosoperoxybenzene
SMILESO=POOc1ccccc1
InChIInChI=1S/C6H5O3P/c7-10-9-8-6-4-2-1-3-5-6/h1-5H
InChIKeyZWJICQPZOCCAIZ-UHFFFAOYSA-N
MW156.08 g/mol
LogP2.20
Rot. Bonds3

About phosphorosoperoxybenzene

phosphorosoperoxybenzene (PubChem CID 154486762) has the molecular formula C6H5O3P and a molecular weight of 156.08 g/mol. Its IUPAC name is phosphorosoperoxybenzene.

Molecular Properties

Compound Namephosphorosoperoxybenzene
PubChem CID154486762
Molecular FormulaC6H5O3P
Molecular Weight156.08 g/mol
Exact Mass156.00
IUPAC Namephosphorosoperoxybenzene
SMILESO=POOc1ccccc1
InChIInChI=1S/C6H5O3P/c7-10-9-8-6-4-2-1-3-5-6/h1-5H
InChIKeyZWJICQPZOCCAIZ-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.08
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 66709852
CID 66709852
azane;phenylperoxybenzene
CID 174490395
potassium;hydride;phenylperoxybenzene
CID 174274599
butane;phosphorosooxybenzene
CID 69253491
phenoxy hypochlorite
CID 18939078
O-phenoxyhydroxylamine
CID 20645120
2-phenylethylbenzene;phosphorosooxybenzene
CID 68973747
phenyl hypochlorite;titanium
CID 87675742
phenoxy hypofluorite;hydrochloride
CID 161041711
[phenoxy(phosphanyl)amino]oxybenzene
CID 67310968
3-phenylperoxyphenol
CID 87446766
diaminophosphorylperoxybenzene
CID 172833248

Frequently Asked Questions

What is the IUPAC name of phosphorosoperoxybenzene?
The IUPAC name of phosphorosoperoxybenzene (CID 154486762) is phosphorosoperoxybenzene.
What is the SMILES notation for phosphorosoperoxybenzene?
The canonical SMILES for phosphorosoperoxybenzene is O=POOc1ccccc1.
What is the InChIKey of phosphorosoperoxybenzene?
The InChIKey is ZWJICQPZOCCAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O3P/c7-10-9-8-6-4-2-1-3-5-6/h1-5H.
What are the key properties of phosphorosoperoxybenzene?
phosphorosoperoxybenzene has a molecular weight of 156.08 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorosoperoxybenzene is sourced from PubChem (CID 154486762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).