benzene-1,2-diol;hydrogen peroxide

C6H8O4 — CID 22924348

IUPACbenzene-1,2-diol;hydrogen peroxide
SMILESOO.Oc1ccccc1O
InChIInChI=1S/C6H6O2.H2O2/c7-5-3-1-2-4-6(5)8;1-2/h1-4,7-8H;1-2H
InChIKeyAILCBMQLHUKUIH-UHFFFAOYSA-N
MW144.13 g/mol
LogP1.12
Rot. Bonds

About benzene-1,2-diol;hydrogen peroxide

benzene-1,2-diol;hydrogen peroxide (PubChem CID 22924348) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is benzene-1,2-diol;hydrogen peroxide.

Molecular Properties

Compound Namebenzene-1,2-diol;hydrogen peroxide
PubChem CID22924348
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namebenzene-1,2-diol;hydrogen peroxide
SMILESOO.Oc1ccccc1O
InChIInChI=1S/C6H6O2.H2O2/c7-5-3-1-2-4-6(5)8;1-2/h1-4,7-8H;1-2H
InChIKeyAILCBMQLHUKUIH-UHFFFAOYSA-N
XLogP1.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

cyclodeca-2,4,6,8,10-pentaene-1,2-diol
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benzene-1,2-diol;ruthenium
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benzene-1,2-diol;vanadium(2+)
CID 159711752
benzene-1,2-diol;zinc
CID 70580296
bis(benzene-1,2-diol);methane
CID 158804248
benzene-1,2-diol;carbanide;zirconium(2+)
CID 20654665
benzene-1,2-diol;methanamine
CID 159187656
CID 6393025
CID 6393025
CID 175605209
CID 175605209
benzene-1,2-diol;cyclohexane
CID 175415805
benzene-1,2-diol;benzene-1,4-diol
CID 22646089
CID 174327520
CID 174327520

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;hydrogen peroxide?
The IUPAC name of benzene-1,2-diol;hydrogen peroxide (CID 22924348) is benzene-1,2-diol;hydrogen peroxide.
What is the SMILES notation for benzene-1,2-diol;hydrogen peroxide?
The canonical SMILES for benzene-1,2-diol;hydrogen peroxide is OO.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;hydrogen peroxide?
The InChIKey is AILCBMQLHUKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.H2O2/c7-5-3-1-2-4-6(5)8;1-2/h1-4,7-8H;1-2H.
What are the key properties of benzene-1,2-diol;hydrogen peroxide?
benzene-1,2-diol;hydrogen peroxide has a molecular weight of 144.13 g/mol, XLogP of 1.12, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;hydrogen peroxide is sourced from PubChem (CID 22924348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).