2,5-dibromo-3-(4-methoxyphenyl)thiophene

C11H8Br2OS — CID 12772916

IUPAC2,5-dibromo-3-(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2cc(Br)sc2Br)cc1
InChIInChI=1S/C11H8Br2OS/c1-14-8-4-2-7(3-5-8)9-6-10(12)15-11(9)13/h2-6H,1H3
InChIKeyZDUUNZYHBHFBAI-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.95
Rot. Bonds2

About 2,5-dibromo-3-(4-methoxyphenyl)thiophene

2,5-dibromo-3-(4-methoxyphenyl)thiophene (PubChem CID 12772916) has the molecular formula C11H8Br2OS and a molecular weight of 348.06 g/mol. Its IUPAC name is 2,5-dibromo-3-(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(4-methoxyphenyl)thiophene
PubChem CID12772916
Molecular FormulaC11H8Br2OS
Molecular Weight348.06 g/mol
Exact Mass345.87
IUPAC Name2,5-dibromo-3-(4-methoxyphenyl)thiophene
SMILESCOc1ccc(-c2cc(Br)sc2Br)cc1
InChIInChI=1S/C11H8Br2OS/c1-14-8-4-2-7(3-5-8)9-6-10(12)15-11(9)13/h2-6H,1H3
InChIKeyZDUUNZYHBHFBAI-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-dibromothiophen-3-yl)phenyl]methanol
CID 46895705
2,5-dibromo-6-(4-methoxyphenyl)thieno[3,2-b]thiophene
CID 122480470
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
3-bromo-4-(4-methoxyphenyl)-2,5-dimethylthiophene
CID 134832933
1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2,5-dibromo-3-[bromo-(2,4-dimethoxyphenyl)methyl]thiophene
CID 63442769
N-[(2,5-dibromothiophen-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43497910

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(4-methoxyphenyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(4-methoxyphenyl)thiophene (CID 12772916) is 2,5-dibromo-3-(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(4-methoxyphenyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(4-methoxyphenyl)thiophene is COc1ccc(-c2cc(Br)sc2Br)cc1.
What is the InChIKey of 2,5-dibromo-3-(4-methoxyphenyl)thiophene?
The InChIKey is ZDUUNZYHBHFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2OS/c1-14-8-4-2-7(3-5-8)9-6-10(12)15-11(9)13/h2-6H,1H3.
What are the key properties of 2,5-dibromo-3-(4-methoxyphenyl)thiophene?
2,5-dibromo-3-(4-methoxyphenyl)thiophene has a molecular weight of 348.06 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(4-methoxyphenyl)thiophene is sourced from PubChem (CID 12772916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).