1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene

C9H10BrIO2 — CID 64787018

IUPAC1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
SMILESCOc1cc(CI)c(OC)cc1Br
InChIInChI=1S/C9H10BrIO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5H2,1-2H3
InChIKeyZARABAZTBNOQIH-UHFFFAOYSA-N
MW356.99 g/mol
LogP3.40
Rot. Bonds3

About 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene

1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene (PubChem CID 64787018) has the molecular formula C9H10BrIO2 and a molecular weight of 356.99 g/mol. Its IUPAC name is 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
PubChem CID64787018
Molecular FormulaC9H10BrIO2
Molecular Weight356.99 g/mol
Exact Mass355.89
IUPAC Name1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
SMILESCOc1cc(CI)c(OC)cc1Br
InChIInChI=1S/C9H10BrIO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5H2,1-2H3
InChIKeyZARABAZTBNOQIH-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.99
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-yl]azanium
CID 25271630
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]butan-2-ol
CID 103706018
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-amino-2-(4-bromo-2,5-dimethoxyphenyl)ethane-1,1-diol
CID 167477101
1-benzyl-4-bromo-2,5-dimethoxybenzene
CID 90014270
1-bromo-5-[[2-fluoro-3-(iodomethyl)phenyl]methyl]-2,4-dimethoxybenzene
CID 118518081
2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]ethanamine
CID 43249544
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene?
The IUPAC name of 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene (CID 64787018) is 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene is COc1cc(CI)c(OC)cc1Br.
What is the InChIKey of 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene?
The InChIKey is ZARABAZTBNOQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrIO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene?
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene has a molecular weight of 356.99 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene is sourced from PubChem (CID 64787018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).