bromozinc(1+);cyclobutyloxymethylbenzene

C11H13BrOZn — CID 172994803

IUPACbromozinc(1+);cyclobutyloxymethylbenzene
SMILES[Zn+]Br.c1ccc(COC2C[CH-]C2)cc1
InChIInChI=1S/C11H13O.BrH.Zn/c1-2-5-10(6-3-1)9-12-11-7-4-8-11;;/h1-6,11H,7-9H2;1H;/q-1;;+2/p-1
InChIKeyNGXPTIZIBIUENL-UHFFFAOYSA-M
MW306.52 g/mol
LogP3.41
Rot. Bonds3

About bromozinc(1+);cyclobutyloxymethylbenzene

bromozinc(1+);cyclobutyloxymethylbenzene (PubChem CID 172994803) has the molecular formula C11H13BrOZn and a molecular weight of 306.52 g/mol. Its IUPAC name is bromozinc(1+);cyclobutyloxymethylbenzene.

Molecular Properties

Compound Namebromozinc(1+);cyclobutyloxymethylbenzene
PubChem CID172994803
Molecular FormulaC11H13BrOZn
Molecular Weight306.52 g/mol
Exact Mass303.94
IUPAC Namebromozinc(1+);cyclobutyloxymethylbenzene
SMILES[Zn+]Br.c1ccc(COC2C[CH-]C2)cc1
InChIInChI=1S/C11H13O.BrH.Zn/c1-2-5-10(6-3-1)9-12-11-7-4-8-11;;/h1-6,11H,7-9H2;1H;/q-1;;+2/p-1
InChIKeyNGXPTIZIBIUENL-UHFFFAOYSA-M
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.41
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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Related Compounds

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
azane;cyclopentyloxymethylbenzene
CID 69411306
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
4-phenylmethoxyoxane
CID 66554133
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);cyclobutyloxymethylbenzene?
The IUPAC name of bromozinc(1+);cyclobutyloxymethylbenzene (CID 172994803) is bromozinc(1+);cyclobutyloxymethylbenzene.
What is the SMILES notation for bromozinc(1+);cyclobutyloxymethylbenzene?
The canonical SMILES for bromozinc(1+);cyclobutyloxymethylbenzene is [Zn+]Br.c1ccc(COC2C[CH-]C2)cc1.
What is the InChIKey of bromozinc(1+);cyclobutyloxymethylbenzene?
The InChIKey is NGXPTIZIBIUENL-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13O.BrH.Zn/c1-2-5-10(6-3-1)9-12-11-7-4-8-11;;/h1-6,11H,7-9H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);cyclobutyloxymethylbenzene?
bromozinc(1+);cyclobutyloxymethylbenzene has a molecular weight of 306.52 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);cyclobutyloxymethylbenzene is sourced from PubChem (CID 172994803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).