p-Benzosemiquinone

C6H5O2 — CID 46173720

IUPAC—
SMILES[O]c1ccc(O)cc1
InChIInChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H
InChIKeyXLHUBROMZOAQMV-UHFFFAOYSA-N
MW109.10 g/mol
LogP1.54
Rot. Bonds

About p-Benzosemiquinone

p-Benzosemiquinone (PubChem CID 46173720) has the molecular formula C6H5O2 and a molecular weight of 109.10 g/mol.

Molecular Properties

Compound Namep-Benzosemiquinone
PubChem CID46173720
Molecular FormulaC6H5O2
Molecular Weight109.10 g/mol
Exact Mass109.03
IUPAC Name—
SMILES[O]c1ccc(O)cc1
InChIInChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H
InChIKeyXLHUBROMZOAQMV-UHFFFAOYSA-N
XLogP1.54
TPSA40.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of p-Benzosemiquinone?
The IUPAC name of p-Benzosemiquinone (CID 46173720) is not available.
What is the SMILES notation for p-Benzosemiquinone?
The canonical SMILES for p-Benzosemiquinone is [O]c1ccc(O)cc1.
What is the InChIKey of p-Benzosemiquinone?
The InChIKey is XLHUBROMZOAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O2/c7-5-1-2-6(8)4-3-5/h1-4,7H.
What are the key properties of p-Benzosemiquinone?
p-Benzosemiquinone has a molecular weight of 109.10 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for p-Benzosemiquinone is sourced from PubChem (CID 46173720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).