bromozinc(1+);1-methoxy-3-phenylbenzene

C13H11BrOZn — CID 146002234

IUPACbromozinc(1+);1-methoxy-3-phenylbenzene
SMILESCOc1cccc(-c2cc[c-]cc2)c1.[Zn+]Br
InChIInChI=1S/C13H11O.BrH.Zn/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;;/h3-10H,1H3;1H;/q-1;;+2/p-1
InChIKeyMDNPGDWWNFUFRR-UHFFFAOYSA-M
MW328.52 g/mol
LogP4.01
Rot. Bonds2

About bromozinc(1+);1-methoxy-3-phenylbenzene

bromozinc(1+);1-methoxy-3-phenylbenzene (PubChem CID 146002234) has the molecular formula C13H11BrOZn and a molecular weight of 328.52 g/mol. Its IUPAC name is bromozinc(1+);1-methoxy-3-phenylbenzene.

Molecular Properties

Compound Namebromozinc(1+);1-methoxy-3-phenylbenzene
PubChem CID146002234
Molecular FormulaC13H11BrOZn
Molecular Weight328.52 g/mol
Exact Mass325.93
IUPAC Namebromozinc(1+);1-methoxy-3-phenylbenzene
SMILESCOc1cccc(-c2cc[c-]cc2)c1.[Zn+]Br
InChIInChI=1S/C13H11O.BrH.Zn/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;;/h3-10H,1H3;1H;/q-1;;+2/p-1
InChIKeyMDNPGDWWNFUFRR-UHFFFAOYSA-M
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.52
LogP ≤ 54.01
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

azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
3-(3-methoxyphenyl)benzonitrile
CID 4189594
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-methoxy-3-phenylbenzene?
The IUPAC name of bromozinc(1+);1-methoxy-3-phenylbenzene (CID 146002234) is bromozinc(1+);1-methoxy-3-phenylbenzene.
What is the SMILES notation for bromozinc(1+);1-methoxy-3-phenylbenzene?
The canonical SMILES for bromozinc(1+);1-methoxy-3-phenylbenzene is COc1cccc(-c2cc[c-]cc2)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-methoxy-3-phenylbenzene?
The InChIKey is MDNPGDWWNFUFRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11O.BrH.Zn/c1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;;/h3-10H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-methoxy-3-phenylbenzene?
bromozinc(1+);1-methoxy-3-phenylbenzene has a molecular weight of 328.52 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-methoxy-3-phenylbenzene is sourced from PubChem (CID 146002234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).