azane;phenylperoxybenzene

C12H13NO2 — CID 174490395

IUPACazane;phenylperoxybenzene
SMILESN.c1ccc(OOc2ccccc2)cc1
InChIInChI=1S/C12H10O2.H3N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;/h1-10H;1H3
InChIKeyLCJMEMSFLPUUCI-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.22
Rot. Bonds3

About azane;phenylperoxybenzene

azane;phenylperoxybenzene (PubChem CID 174490395) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is azane;phenylperoxybenzene.

Molecular Properties

Compound Nameazane;phenylperoxybenzene
PubChem CID174490395
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Nameazane;phenylperoxybenzene
SMILESN.c1ccc(OOc2ccccc2)cc1
InChIInChI=1S/C12H10O2.H3N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;/h1-10H;1H3
InChIKeyLCJMEMSFLPUUCI-UHFFFAOYSA-N
XLogP3.22
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
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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Related Compounds

potassium;hydride;phenylperoxybenzene
CID 174274599
phenoxy hypochlorite
CID 18939078
O-phenoxyhydroxylamine
CID 20645120
phenyl hypochlorite;titanium
CID 87675742
phenoxy hypofluorite;hydrochloride
CID 161041711
3-phenylperoxyphenol
CID 87446766
phenylperoxymethanamine
CID 163956445
phosphorosoperoxybenzene
CID 154486762
S-phenylperoxythiohydroxylamine
CID 58723108
O-phenoxy methanethioate
CID 173099719
phenoxy dihydrogen phosphite
CID 22750423
sodium phenylperoxybenzene
CID 174640898

Frequently Asked Questions

What is the IUPAC name of azane;phenylperoxybenzene?
The IUPAC name of azane;phenylperoxybenzene (CID 174490395) is azane;phenylperoxybenzene.
What is the SMILES notation for azane;phenylperoxybenzene?
The canonical SMILES for azane;phenylperoxybenzene is N.c1ccc(OOc2ccccc2)cc1.
What is the InChIKey of azane;phenylperoxybenzene?
The InChIKey is LCJMEMSFLPUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.H3N/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12;/h1-10H;1H3.
What are the key properties of azane;phenylperoxybenzene?
azane;phenylperoxybenzene has a molecular weight of 203.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phenylperoxybenzene is sourced from PubChem (CID 174490395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).