bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene

C14H13BrOZn — CID 146001821

IUPACbromozinc(1+);1-methyl-4-(phenylmethoxy)benzene
SMILESCc1ccc(OCc2c[c-]ccc2)cc1.[Zn+]Br
InChIInChI=1S/C14H13O.BrH.Zn/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;;/h2-3,5-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyWOOOYPWPWHQUNS-UHFFFAOYSA-M
MW342.55 g/mol
LogP4.22
Rot. Bonds3

About bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene

bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene (PubChem CID 146001821) has the molecular formula C14H13BrOZn and a molecular weight of 342.55 g/mol. Its IUPAC name is bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene.

Molecular Properties

Compound Namebromozinc(1+);1-methyl-4-(phenylmethoxy)benzene
PubChem CID146001821
Molecular FormulaC14H13BrOZn
Molecular Weight342.55 g/mol
Exact Mass339.94
IUPAC Namebromozinc(1+);1-methyl-4-(phenylmethoxy)benzene
SMILESCc1ccc(OCc2c[c-]ccc2)cc1.[Zn+]Br
InChIInChI=1S/C14H13O.BrH.Zn/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;;/h2-3,5-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyWOOOYPWPWHQUNS-UHFFFAOYSA-M
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.22
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

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene
CID 146001807
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene
CID 146001800
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002157
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
dizinc;2-phenylethylbenzene;propane
CID 177427597
1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene
CID 134940295
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
magnesium;methoxymethoxymethylbenzene;bromide
CID 15973074
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene?
The IUPAC name of bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene (CID 146001821) is bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene.
What is the SMILES notation for bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene?
The canonical SMILES for bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene is Cc1ccc(OCc2c[c-]ccc2)cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene?
The InChIKey is WOOOYPWPWHQUNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13O.BrH.Zn/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13;;/h2-3,5-10H,11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene?
bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene has a molecular weight of 342.55 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene is sourced from PubChem (CID 146001821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).