chlorozinc(1+);1,2-dimethoxybenzene-5-ide

C8H9ClO2Zn — CID 10444187

IUPACchlorozinc(1+);1,2-dimethoxybenzene-5-ide
SMILESCOc1c[c-]ccc1OC.Cl[Zn+]
InChIInChI=1S/C8H9O2.ClH.Zn/c1-9-7-5-3-4-6-8(7)10-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIPNBXFSAOVMSJV-UHFFFAOYSA-M
MW238.00 g/mol
LogP2.19
Rot. Bonds2

About chlorozinc(1+);1,2-dimethoxybenzene-5-ide

chlorozinc(1+);1,2-dimethoxybenzene-5-ide (PubChem CID 10444187) has the molecular formula C8H9ClO2Zn and a molecular weight of 238.00 g/mol. Its IUPAC name is chlorozinc(1+);1,2-dimethoxybenzene-5-ide.

Molecular Properties

Compound Namechlorozinc(1+);1,2-dimethoxybenzene-5-ide
PubChem CID10444187
Molecular FormulaC8H9ClO2Zn
Molecular Weight238.00 g/mol
Exact Mass235.96
IUPAC Namechlorozinc(1+);1,2-dimethoxybenzene-5-ide
SMILESCOc1c[c-]ccc1OC.Cl[Zn+]
InChIInChI=1S/C8H9O2.ClH.Zn/c1-9-7-5-3-4-6-8(7)10-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIPNBXFSAOVMSJV-UHFFFAOYSA-M
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.00
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);1,2-dimethoxybenzene-5-ide?
The IUPAC name of chlorozinc(1+);1,2-dimethoxybenzene-5-ide (CID 10444187) is chlorozinc(1+);1,2-dimethoxybenzene-5-ide.
What is the SMILES notation for chlorozinc(1+);1,2-dimethoxybenzene-5-ide?
The canonical SMILES for chlorozinc(1+);1,2-dimethoxybenzene-5-ide is COc1c[c-]ccc1OC.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);1,2-dimethoxybenzene-5-ide?
The InChIKey is IPNBXFSAOVMSJV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O2.ClH.Zn/c1-9-7-5-3-4-6-8(7)10-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);1,2-dimethoxybenzene-5-ide?
chlorozinc(1+);1,2-dimethoxybenzene-5-ide has a molecular weight of 238.00 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);1,2-dimethoxybenzene-5-ide is sourced from PubChem (CID 10444187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).