3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene

C12H10Br2O2S — CID 104707478

IUPAC3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
SMILESCOc1ccc(OCc2sccc2Br)c(Br)c1
InChIInChI=1S/C12H10Br2O2S/c1-15-8-2-3-11(10(14)6-8)16-7-12-9(13)4-5-17-12/h2-6H,7H2,1H3
InChIKeyLHCXKPDIANNMEF-UHFFFAOYSA-N
MW378.09 g/mol
LogP4.86
Rot. Bonds4

About 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene

3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene (PubChem CID 104707478) has the molecular formula C12H10Br2O2S and a molecular weight of 378.09 g/mol. Its IUPAC name is 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
PubChem CID104707478
Molecular FormulaC12H10Br2O2S
Molecular Weight378.09 g/mol
Exact Mass375.88
IUPAC Name3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
SMILESCOc1ccc(OCc2sccc2Br)c(Br)c1
InChIInChI=1S/C12H10Br2O2S/c1-15-8-2-3-11(10(14)6-8)16-7-12-9(13)4-5-17-12/h2-6H,7H2,1H3
InChIKeyLHCXKPDIANNMEF-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
3-[(3-bromothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567546
3-bromo-2-[(3-ethoxyphenoxy)methyl]thiophene
CID 55060850
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
(1S)-1-[4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78932867
2-bromo-1-[(2,5-dimethylphenyl)methoxy]-4-methoxybenzene
CID 104707496
3-[(3-bromothiophen-2-yl)methoxy]-4-methylbenzenecarbothioamide
CID 107656451
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-methylphenyl]ethanol
CID 78934170
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
3-bromo-2-[(3-ethylphenoxy)methyl]thiophene
CID 63457538
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene?
The IUPAC name of 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene (CID 104707478) is 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene?
The canonical SMILES for 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene is COc1ccc(OCc2sccc2Br)c(Br)c1.
What is the InChIKey of 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene?
The InChIKey is LHCXKPDIANNMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O2S/c1-15-8-2-3-11(10(14)6-8)16-7-12-9(13)4-5-17-12/h2-6H,7H2,1H3.
What are the key properties of 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene?
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene has a molecular weight of 378.09 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene is sourced from PubChem (CID 104707478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).