benzene-1,2-diol;zinc

C6H6O2Zn — CID 70580296

IUPACbenzene-1,2-diol;zinc
SMILESOc1ccccc1O.[Zn]
InChIInChI=1S/C6H6O2.Zn/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;
InChIKeyCOZKIZRZDYVVHC-UHFFFAOYSA-N
MW175.50 g/mol
LogP1.10
Rot. Bonds

About benzene-1,2-diol;zinc

benzene-1,2-diol;zinc (PubChem CID 70580296) has the molecular formula C6H6O2Zn and a molecular weight of 175.50 g/mol. Its IUPAC name is benzene-1,2-diol;zinc.

Molecular Properties

Compound Namebenzene-1,2-diol;zinc
PubChem CID70580296
Molecular FormulaC6H6O2Zn
Molecular Weight175.50 g/mol
Exact Mass173.97
IUPAC Namebenzene-1,2-diol;zinc
SMILESOc1ccccc1O.[Zn]
InChIInChI=1S/C6H6O2.Zn/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;
InChIKeyCOZKIZRZDYVVHC-UHFFFAOYSA-N
XLogP1.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.50
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzene-1,2-diol;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2-diol;ruthenium
CID 175866633
benzene-1,2-diol;vanadium(2+)
CID 159711752
benzene-1,2-diol;hydrogen peroxide
CID 22924348
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
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
sodium;benzene-1,2-diol;azide
CID 162093593

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;zinc?
The IUPAC name of benzene-1,2-diol;zinc (CID 70580296) is benzene-1,2-diol;zinc.
What is the SMILES notation for benzene-1,2-diol;zinc?
The canonical SMILES for benzene-1,2-diol;zinc is Oc1ccccc1O.[Zn].
What is the InChIKey of benzene-1,2-diol;zinc?
The InChIKey is COZKIZRZDYVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.Zn/c7-5-3-1-2-4-6(5)8;/h1-4,7-8H;.
What are the key properties of benzene-1,2-diol;zinc?
benzene-1,2-diol;zinc has a molecular weight of 175.50 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;zinc is sourced from PubChem (CID 70580296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).