bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene

C14H13BrOZn — CID 176656392

IUPACbromozinc(1+);1-methanidyl-3-phenylmethoxybenzene
SMILES[CH2-]c1cccc(OCc2ccccc2)c1.[Zn+]Br
InChIInChI=1S/C14H13O.BrH.Zn/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13;;/h2-10H,1,11H2;1H;/q-1;;+2/p-1
InChIKeyJIPCDVBTDZNQGH-UHFFFAOYSA-M
MW342.55 g/mol
LogP4.29
Rot. Bonds3

About bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene

bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene (PubChem CID 176656392) has the molecular formula C14H13BrOZn and a molecular weight of 342.55 g/mol. Its IUPAC name is bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene.

Molecular Properties

Compound Namebromozinc(1+);1-methanidyl-3-phenylmethoxybenzene
PubChem CID176656392
Molecular FormulaC14H13BrOZn
Molecular Weight342.55 g/mol
Exact Mass339.94
IUPAC Namebromozinc(1+);1-methanidyl-3-phenylmethoxybenzene
SMILES[CH2-]c1cccc(OCc2ccccc2)c1.[Zn+]Br
InChIInChI=1S/C14H13O.BrH.Zn/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13;;/h2-10H,1,11H2;1H;/q-1;;+2/p-1
InChIKeyJIPCDVBTDZNQGH-UHFFFAOYSA-M
XLogP4.29
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 ≤ 54.29
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'}

Analyze bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903
CID 57238609
CID 57238609
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-phenylmethoxy-3-propylbenzene
CID 58977798
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
N-benzyl-3-phenylmethoxyaniline
CID 54801332
[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane
CID 22570241

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene?
The IUPAC name of bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene (CID 176656392) is bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene.
What is the SMILES notation for bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene?
The canonical SMILES for bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene is [CH2-]c1cccc(OCc2ccccc2)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene?
The InChIKey is JIPCDVBTDZNQGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13O.BrH.Zn/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13;;/h2-10H,1,11H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene?
bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene has a molecular weight of 342.55 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methanidyl-3-phenylmethoxybenzene is sourced from PubChem (CID 176656392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).