1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene

C14H10Br2I2O2 — CID 11678942

IUPAC1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene
SMILESCOc1cc(-c2cc(OC)c(Br)cc2I)c(I)cc1Br
InChIInChI=1S/C14H10Br2I2O2/c1-19-13-3-7(11(17)5-9(13)15)8-4-14(20-2)10(16)6-12(8)18/h3-6H,1-2H3
InChIKeyDOMWJSXWPFXSMX-UHFFFAOYSA-N
MW623.85 g/mol
LogP6.11
Rot. Bonds3

About 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene

1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene (PubChem CID 11678942) has the molecular formula C14H10Br2I2O2 and a molecular weight of 623.85 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene
PubChem CID11678942
Molecular FormulaC14H10Br2I2O2
Molecular Weight623.85 g/mol
Exact Mass621.71
IUPAC Name1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene
SMILESCOc1cc(-c2cc(OC)c(Br)cc2I)c(I)cc1Br
InChIInChI=1S/C14H10Br2I2O2/c1-19-13-3-7(11(17)5-9(13)15)8-4-14(20-2)10(16)6-12(8)18/h3-6H,1-2H3
InChIKeyDOMWJSXWPFXSMX-UHFFFAOYSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.85
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene?
The IUPAC name of 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene (CID 11678942) is 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene is COc1cc(-c2cc(OC)c(Br)cc2I)c(I)cc1Br.
What is the InChIKey of 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene?
The InChIKey is DOMWJSXWPFXSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2I2O2/c1-19-13-3-7(11(17)5-9(13)15)8-4-14(20-2)10(16)6-12(8)18/h3-6H,1-2H3.
What are the key properties of 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene?
1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene has a molecular weight of 623.85 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromo-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxybenzene is sourced from PubChem (CID 11678942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).