bromozinc(1+);1-ethyl-4-methoxybenzene

C9H11BrOZn — CID 24722652

IUPACbromozinc(1+);1-ethyl-4-methoxybenzene
SMILES[CH2-]Cc1ccc(OC)cc1.[Zn+]Br
InChIInChI=1S/C9H11O.BrH.Zn/c1-3-8-4-6-9(10-2)7-5-8;;/h4-7H,1,3H2,2H3;1H;/q-1;;+2/p-1
InChIKeyWHSPXXRFZHTOFA-UHFFFAOYSA-M
MW280.48 g/mol
LogP2.91
Rot. Bonds2

About bromozinc(1+);1-ethyl-4-methoxybenzene

bromozinc(1+);1-ethyl-4-methoxybenzene (PubChem CID 24722652) has the molecular formula C9H11BrOZn and a molecular weight of 280.48 g/mol. Its IUPAC name is bromozinc(1+);1-ethyl-4-methoxybenzene.

Molecular Properties

Compound Namebromozinc(1+);1-ethyl-4-methoxybenzene
PubChem CID24722652
Molecular FormulaC9H11BrOZn
Molecular Weight280.48 g/mol
Exact Mass277.93
IUPAC Namebromozinc(1+);1-ethyl-4-methoxybenzene
SMILES[CH2-]Cc1ccc(OC)cc1.[Zn+]Br
InChIInChI=1S/C9H11O.BrH.Zn/c1-3-8-4-6-9(10-2)7-5-8;;/h4-7H,1,3H2,2H3;1H;/q-1;;+2/p-1
InChIKeyWHSPXXRFZHTOFA-UHFFFAOYSA-M
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 bromozinc(1+);1-ethyl-4-methoxybenzene?
The IUPAC name of bromozinc(1+);1-ethyl-4-methoxybenzene (CID 24722652) is bromozinc(1+);1-ethyl-4-methoxybenzene.
What is the SMILES notation for bromozinc(1+);1-ethyl-4-methoxybenzene?
The canonical SMILES for bromozinc(1+);1-ethyl-4-methoxybenzene is [CH2-]Cc1ccc(OC)cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-ethyl-4-methoxybenzene?
The InChIKey is WHSPXXRFZHTOFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O.BrH.Zn/c1-3-8-4-6-9(10-2)7-5-8;;/h4-7H,1,3H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-ethyl-4-methoxybenzene?
bromozinc(1+);1-ethyl-4-methoxybenzene has a molecular weight of 280.48 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-ethyl-4-methoxybenzene is sourced from PubChem (CID 24722652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).