phenoxy hypochlorite

C6H5ClO2 — CID 18939078

IUPACphenoxy hypochlorite
SMILESClOOc1ccccc1
InChIInChI=1S/C6H5ClO2/c7-9-8-6-4-2-1-3-5-6/h1-5H
InChIKeyYABPXXOZZZIUBP-UHFFFAOYSA-N
MW144.56 g/mol
LogP2.15
Rot. Bonds2

About phenoxy hypochlorite

phenoxy hypochlorite (PubChem CID 18939078) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is phenoxy hypochlorite.

Molecular Properties

Compound Namephenoxy hypochlorite
PubChem CID18939078
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Namephenoxy hypochlorite
SMILESClOOc1ccccc1
InChIInChI=1S/C6H5ClO2/c7-9-8-6-4-2-1-3-5-6/h1-5H
InChIKeyYABPXXOZZZIUBP-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;phenylperoxybenzene
CID 174490395
potassium;hydride;phenylperoxybenzene
CID 174274599
phenyl hypochlorite;titanium
CID 87675742
phenylperoxymethanamine
CID 163956445
O-phenoxyhydroxylamine
CID 20645120
phenoxy hypofluorite;hydrochloride
CID 161041711
3-phenylperoxyphenol
CID 87446766
nickel;phenoxyphosphane
CID 158547426
phosphorosoperoxybenzene
CID 154486762
O-phenoxy methanethioate
CID 173099719
S-phenylperoxythiohydroxylamine
CID 58723108
phenoxy dihydrogen phosphite
CID 22750423

Frequently Asked Questions

What is the IUPAC name of phenoxy hypochlorite?
The IUPAC name of phenoxy hypochlorite (CID 18939078) is phenoxy hypochlorite.
What is the SMILES notation for phenoxy hypochlorite?
The canonical SMILES for phenoxy hypochlorite is ClOOc1ccccc1.
What is the InChIKey of phenoxy hypochlorite?
The InChIKey is YABPXXOZZZIUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c7-9-8-6-4-2-1-3-5-6/h1-5H.
What are the key properties of phenoxy hypochlorite?
phenoxy hypochlorite has a molecular weight of 144.56 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy hypochlorite is sourced from PubChem (CID 18939078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).