4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene

C13H12Br2OS — CID 107723788

IUPAC4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
SMILESCc1cc(OCc2cc(Br)cs2)cc(C)c1Br
InChIInChI=1S/C13H12Br2OS/c1-8-3-11(4-9(2)13(8)15)16-6-12-5-10(14)7-17-12/h3-5,7H,6H2,1-2H3
InChIKeyAATQKGXXPHPBRY-UHFFFAOYSA-N
MW376.11 g/mol
LogP5.47
Rot. Bonds3

About 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene

4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene (PubChem CID 107723788) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
PubChem CID107723788
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
SMILESCc1cc(OCc2cc(Br)cs2)cc(C)c1Br
InChIInChI=1S/C13H12Br2OS/c1-8-3-11(4-9(2)13(8)15)16-6-12-5-10(14)7-17-12/h3-5,7H,6H2,1-2H3
InChIKeyAATQKGXXPHPBRY-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.11
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107726659
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline
CID 114088068
4-bromo-2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]thiophene
CID 63535500
1-[5-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107726394
4-[(4-bromothiophen-2-yl)methoxy]-3,5-dimethylbenzoic acid
CID 63530518
4-bromo-2-[(3-chlorophenoxy)methyl]thiophene
CID 63456534
4-[(4-bromothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 65471352
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937230
1-[4-[(4-bromo-3,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 107726525
4-bromo-2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene
CID 55192997
2-[(4-bromothiophen-2-yl)methoxy]-3-methylbenzaldehyde
CID 112610932

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene?
The IUPAC name of 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene (CID 107723788) is 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene.
What is the SMILES notation for 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene?
The canonical SMILES for 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene is Cc1cc(OCc2cc(Br)cs2)cc(C)c1Br.
What is the InChIKey of 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene?
The InChIKey is AATQKGXXPHPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-8-3-11(4-9(2)13(8)15)16-6-12-5-10(14)7-17-12/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene?
4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene has a molecular weight of 376.11 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene is sourced from PubChem (CID 107723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).