bromozinc(1+);2-phenyl-1,3-dioxane

C10H11BrO2Zn — CID 146001614

IUPACbromozinc(1+);2-phenyl-1,3-dioxane
SMILES[Zn+]Br.[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.BrH.Zn/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;;/h2-3,5-6,10H,4,7-8H2;1H;/q-1;;+2/p-1
InChIKeyMCKQRCFECGBQQN-UHFFFAOYSA-M
MW308.49 g/mol
LogP2.77
Rot. Bonds1

About bromozinc(1+);2-phenyl-1,3-dioxane

bromozinc(1+);2-phenyl-1,3-dioxane (PubChem CID 146001614) has the molecular formula C10H11BrO2Zn and a molecular weight of 308.49 g/mol. Its IUPAC name is bromozinc(1+);2-phenyl-1,3-dioxane.

Molecular Properties

Compound Namebromozinc(1+);2-phenyl-1,3-dioxane
PubChem CID146001614
Molecular FormulaC10H11BrO2Zn
Molecular Weight308.49 g/mol
Exact Mass305.92
IUPAC Namebromozinc(1+);2-phenyl-1,3-dioxane
SMILES[Zn+]Br.[c-]1ccc(C2OCCCO2)cc1
InChIInChI=1S/C10H11O2.BrH.Zn/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;;/h2-3,5-6,10H,4,7-8H2;1H;/q-1;;+2/p-1
InChIKeyMCKQRCFECGBQQN-UHFFFAOYSA-M
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.77
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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Related Compounds

magnesium;2-phenyl-1,3-dioxane;chloride
CID 169224785
2-phenyl-1,3-dioxonane
CID 70602118
2-(4-ethenylphenyl)-1,3-dioxane
CID 69099631
2-(4-ethynylphenyl)-1,3-dioxane
CID 12988134
2-[3-bromo-5-(1,3-dioxan-2-yl)phenyl]-1,3-dioxane
CID 86166640
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
CID 45117158
2-[4-[2-(2-bromoethoxy)ethyl]phenyl]-1,3-dioxane
CID 69169987
3-(1,3-dioxan-2-yl)aniline
CID 601607
2-(3-iodophenyl)-1,3-dioxane
CID 142902920
1-[3-(1,3-dioxan-2-yl)phenyl]ethanone
CID 59248607
benzene;2-(4-bromo-3-fluorophenyl)-1,3-dioxane
CID 143877741

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2-phenyl-1,3-dioxane?
The IUPAC name of bromozinc(1+);2-phenyl-1,3-dioxane (CID 146001614) is bromozinc(1+);2-phenyl-1,3-dioxane.
What is the SMILES notation for bromozinc(1+);2-phenyl-1,3-dioxane?
The canonical SMILES for bromozinc(1+);2-phenyl-1,3-dioxane is [Zn+]Br.[c-]1ccc(C2OCCCO2)cc1.
What is the InChIKey of bromozinc(1+);2-phenyl-1,3-dioxane?
The InChIKey is MCKQRCFECGBQQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11O2.BrH.Zn/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;;/h2-3,5-6,10H,4,7-8H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2-phenyl-1,3-dioxane?
bromozinc(1+);2-phenyl-1,3-dioxane has a molecular weight of 308.49 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-phenyl-1,3-dioxane is sourced from PubChem (CID 146001614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).