zinc;2-bromo-4-methylphenol;oxygen(2-)

C7H7BrO2Zn — CID 174743291

IUPACzinc;2-bromo-4-methylphenol;oxygen(2-)
SMILESCc1ccc(O)c(Br)c1.[O-2].[Zn+2]
InChIInChI=1S/C7H7BrO.O.Zn/c1-5-2-3-7(9)6(8)4-5;;/h2-4,9H,1H3;;/q;-2;+2
InChIKeyAMBDCBWGJQFLKY-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.34
Rot. Bonds

About zinc;2-bromo-4-methylphenol;oxygen(2-)

zinc;2-bromo-4-methylphenol;oxygen(2-) (PubChem CID 174743291) has the molecular formula C7H7BrO2Zn and a molecular weight of 268.43 g/mol. Its IUPAC name is zinc;2-bromo-4-methylphenol;oxygen(2-).

Molecular Properties

Compound Namezinc;2-bromo-4-methylphenol;oxygen(2-)
PubChem CID174743291
Molecular FormulaC7H7BrO2Zn
Molecular Weight268.43 g/mol
Exact Mass265.89
IUPAC Namezinc;2-bromo-4-methylphenol;oxygen(2-)
SMILESCc1ccc(O)c(Br)c1.[O-2].[Zn+2]
InChIInChI=1S/C7H7BrO.O.Zn/c1-5-2-3-7(9)6(8)4-5;;/h2-4,9H,1H3;;/q;-2;+2
InChIKeyAMBDCBWGJQFLKY-UHFFFAOYSA-N
XLogP2.34
TPSA48.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane
CID 67671436
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 158132075
2-bromo-1-(2-bromoethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 161031676
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane
CID 158942967
2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone
CID 67836332
2,4-dibromophenol;methanol
CID 174690931
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
2,4-dimethylphenol
CID 67713801
2,4-dimethylphenol;yttrium
CID 87733318
2-bromo-1,4-dimethylbenzene;ethane
CID 142028009
CID 175892141
CID 175892141
CID 172763014
CID 172763014

Frequently Asked Questions

What is the IUPAC name of zinc;2-bromo-4-methylphenol;oxygen(2-)?
The IUPAC name of zinc;2-bromo-4-methylphenol;oxygen(2-) (CID 174743291) is zinc;2-bromo-4-methylphenol;oxygen(2-).
What is the SMILES notation for zinc;2-bromo-4-methylphenol;oxygen(2-)?
The canonical SMILES for zinc;2-bromo-4-methylphenol;oxygen(2-) is Cc1ccc(O)c(Br)c1.[O-2].[Zn+2].
What is the InChIKey of zinc;2-bromo-4-methylphenol;oxygen(2-)?
The InChIKey is AMBDCBWGJQFLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO.O.Zn/c1-5-2-3-7(9)6(8)4-5;;/h2-4,9H,1H3;;/q;-2;+2.
What are the key properties of zinc;2-bromo-4-methylphenol;oxygen(2-)?
zinc;2-bromo-4-methylphenol;oxygen(2-) has a molecular weight of 268.43 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-bromo-4-methylphenol;oxygen(2-) is sourced from PubChem (CID 174743291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).