2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene

C12H9Br3OS — CID 107964586

IUPAC2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
SMILESCOc1ccc(Br)cc1C(Br)c1csc(Br)c1
InChIInChI=1S/C12H9Br3OS/c1-16-10-3-2-8(13)5-9(10)12(15)7-4-11(14)17-6-7/h2-6,12H,1H3
InChIKeyZJDAEQMKRARZON-UHFFFAOYSA-N
MW440.98 g/mol
LogP5.77
Rot. Bonds3

About 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene

2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene (PubChem CID 107964586) has the molecular formula C12H9Br3OS and a molecular weight of 440.98 g/mol. Its IUPAC name is 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
PubChem CID107964586
Molecular FormulaC12H9Br3OS
Molecular Weight440.98 g/mol
Exact Mass437.79
IUPAC Name2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
SMILESCOc1ccc(Br)cc1C(Br)c1csc(Br)c1
InChIInChI=1S/C12H9Br3OS/c1-16-10-3-2-8(13)5-9(10)12(15)7-4-11(14)17-6-7/h2-6,12H,1H3
InChIKeyZJDAEQMKRARZON-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.98
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 63435890
2-bromo-4-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964668
N-[(5-bromo-2-methoxyphenyl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 107960800
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-3-methylthiophene
CID 63435889
1-bromo-3-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylbenzene
CID 113460992
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
2-bromo-4-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 107964733
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63435888
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
(5-bromothiophen-3-yl)-(4-methoxy-3-methylphenyl)methanol
CID 107964214

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene?
The IUPAC name of 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene (CID 107964586) is 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene.
What is the SMILES notation for 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene?
The canonical SMILES for 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene is COc1ccc(Br)cc1C(Br)c1csc(Br)c1.
What is the InChIKey of 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene?
The InChIKey is ZJDAEQMKRARZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br3OS/c1-16-10-3-2-8(13)5-9(10)12(15)7-4-11(14)17-6-7/h2-6,12H,1H3.
What are the key properties of 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene?
2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene has a molecular weight of 440.98 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene is sourced from PubChem (CID 107964586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).