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

C14H13BrO2Zn — CID 146002183

IUPACbromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene
SMILESCOc1ccc(OCc2[c-]cccc2)cc1.[Zn+]Br
InChIInChI=1S/C14H13O2.BrH.Zn/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;;/h2-5,7-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGDPQVDUHGVSLSR-UHFFFAOYSA-M
MW358.55 g/mol
LogP3.92
Rot. Bonds4

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

bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene (PubChem CID 146002183) has the molecular formula C14H13BrO2Zn and a molecular weight of 358.55 g/mol. Its IUPAC name is bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene.

Molecular Properties

Compound Namebromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene
PubChem CID146002183
Molecular FormulaC14H13BrO2Zn
Molecular Weight358.55 g/mol
Exact Mass355.94
IUPAC Namebromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene
SMILESCOc1ccc(OCc2[c-]cccc2)cc1.[Zn+]Br
InChIInChI=1S/C14H13O2.BrH.Zn/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;;/h2-5,7-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyGDPQVDUHGVSLSR-UHFFFAOYSA-M
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.92
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

bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002159
magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide
CID 146001559
bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene
CID 146002338
bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene
CID 146002177
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium
CID 852380
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene?
The IUPAC name of bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene (CID 146002183) is bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene.
What is the SMILES notation for bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene?
The canonical SMILES for bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene is COc1ccc(OCc2[c-]cccc2)cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene?
The InChIKey is GDPQVDUHGVSLSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13O2.BrH.Zn/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12;;/h2-5,7-10H,11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene?
bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene has a molecular weight of 358.55 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene is sourced from PubChem (CID 146002183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).