5-(3-hydroxyphenyl)peroxybenzene-1,3-diol

C12H10O5 — CID 139520139

IUPAC5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
SMILESOc1cccc(OOc2cc(O)cc(O)c2)c1
InChIInChI=1S/C12H10O5/c13-8-2-1-3-11(5-8)16-17-12-6-9(14)4-10(15)7-12/h1-7,13-15H
InChIKeyUNBGBWVHBLQIBZ-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.18
Rot. Bonds3

About 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol

5-(3-hydroxyphenyl)peroxybenzene-1,3-diol (PubChem CID 139520139) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
PubChem CID139520139
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
SMILESOc1cccc(OOc2cc(O)cc(O)c2)c1
InChIInChI=1S/C12H10O5/c13-8-2-1-3-11(5-8)16-17-12-6-9(14)4-10(15)7-12/h1-7,13-15H
InChIKeyUNBGBWVHBLQIBZ-UHFFFAOYSA-N
XLogP2.18
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.18
H-Bond Donors ≤ 53
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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Related Compounds

3-phenylperoxyphenol
CID 87446766
(3-hydroxyphenoxy) dihydrogen phosphate
CID 150935561
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
benzene-1,3-diol;phenol
CID 23218590

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol?
The IUPAC name of 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol (CID 139520139) is 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol.
What is the SMILES notation for 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol?
The canonical SMILES for 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol is Oc1cccc(OOc2cc(O)cc(O)c2)c1.
What is the InChIKey of 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol?
The InChIKey is UNBGBWVHBLQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-8-2-1-3-11(5-8)16-17-12-6-9(14)4-10(15)7-12/h1-7,13-15H.
What are the key properties of 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol?
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol has a molecular weight of 234.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)peroxybenzene-1,3-diol is sourced from PubChem (CID 139520139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).