1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene

C12H10O5 — CID 22065421

IUPAC1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene
SMILESOOc1ccccc1Oc1ccccc1OO
InChIInChI=1S/C12H10O5/c13-16-11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)17-14/h1-8,13-14H
InChIKeyKOWVYPOPIIQICO-UHFFFAOYSA-N
MW234.21 g/mol
LogP3.18
Rot. Bonds4

About 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene

1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene (PubChem CID 22065421) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene.

Molecular Properties

Compound Name1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene
PubChem CID22065421
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene
SMILESOOc1ccccc1Oc1ccccc1OO
InChIInChI=1S/C12H10O5/c13-16-11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)17-14/h1-8,13-14H
InChIKeyKOWVYPOPIIQICO-UHFFFAOYSA-N
XLogP3.18
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene?
The IUPAC name of 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene (CID 22065421) is 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene.
What is the SMILES notation for 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene?
The canonical SMILES for 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene is OOc1ccccc1Oc1ccccc1OO.
What is the InChIKey of 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene?
The InChIKey is KOWVYPOPIIQICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-16-11-7-3-1-5-9(11)15-10-6-2-4-8-12(10)17-14/h1-8,13-14H.
What are the key properties of 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene?
1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene has a molecular weight of 234.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-2-(2-hydroperoxyphenoxy)benzene is sourced from PubChem (CID 22065421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).