3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol

C12H10O7 — CID 87861807

IUPAC3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol
SMILESOc1cccc(OOOc2cccc(O)c2O)c1O
InChIInChI=1S/C12H10O7/c13-7-3-1-5-9(11(7)15)17-19-18-10-6-2-4-8(14)12(10)16/h1-6,13-16H
InChIKeyWHUMNVHRLYNHAA-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.81
Rot. Bonds4

About 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol

3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol (PubChem CID 87861807) has the molecular formula C12H10O7 and a molecular weight of 266.20 g/mol. Its IUPAC name is 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol
PubChem CID87861807
Molecular FormulaC12H10O7
Molecular Weight266.20 g/mol
Exact Mass266.04
IUPAC Name3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol
SMILESOc1cccc(OOOc2cccc(O)c2O)c1O
InChIInChI=1S/C12H10O7/c13-7-3-1-5-9(11(7)15)17-19-18-10-6-2-4-8(14)12(10)16/h1-6,13-16H
InChIKeyWHUMNVHRLYNHAA-UHFFFAOYSA-N
XLogP1.81
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

benzene-1,2,3-triol
CID 87074018
benzene-1,2,3-triol;bismuthane
CID 174447840
tris(2,3-dihydroxyphenyl) phosphate
CID 141021157
3-[[2,4,4,6,6-pentakis(2,3-dihydroxyphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]benzene-1,2-diol
CID 154420652
5-(2,3-dihydroxyphenoxy)benzene-1,2,3-triol
CID 19426542
ethene;2-(2-hydroxyphenyl)peroxyphenol
CID 163415506
(2,3-dihydroxyphenoxy)-ethenylborinic acid
CID 141325140
3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol
CID 14815710
2-(2-aminophenoxy)peroxyaniline
CID 15807265
benzene-1,2,3-triol;naphthalene
CID 157155506
potassium;sodium;benzene-1,2,3-triol;hydride;titanium
CID 174751088
benzene-1,2,3-triol;diphosphono hydrogen phosphate
CID 87864287

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol?
The IUPAC name of 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol (CID 87861807) is 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol.
What is the SMILES notation for 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol?
The canonical SMILES for 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol is Oc1cccc(OOOc2cccc(O)c2O)c1O.
What is the InChIKey of 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol?
The InChIKey is WHUMNVHRLYNHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O7/c13-7-3-1-5-9(11(7)15)17-19-18-10-6-2-4-8(14)12(10)16/h1-6,13-16H.
What are the key properties of 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol?
3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol has a molecular weight of 266.20 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxyphenoxy)peroxybenzene-1,2-diol is sourced from PubChem (CID 87861807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).