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

C11H7Br2ClOS — CID 55219495

IUPAC2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
SMILESClc1cc(Br)ccc1OCc1ccc(Br)s1
InChIInChI=1S/C11H7Br2ClOS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5H,6H2
InChIKeyYKYAFVXEHVKLDT-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.51
Rot. Bonds3

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

2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene (PubChem CID 55219495) has the molecular formula C11H7Br2ClOS and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
PubChem CID55219495
Molecular FormulaC11H7Br2ClOS
Molecular Weight382.50 g/mol
Exact Mass379.83
IUPAC Name2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene
SMILESClc1cc(Br)ccc1OCc1ccc(Br)s1
InChIInChI=1S/C11H7Br2ClOS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5H,6H2
InChIKeyYKYAFVXEHVKLDT-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558694
[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 55147528
[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
CID 43141922
1-[4-bromo-2-[(5-bromothiophen-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947360
4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
CID 65490138
5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]benzaldehyde
CID 28838282
2-[(5-bromothiophen-2-yl)methoxy]-6-chloro-N'-hydroxybenzenecarboximidamide
CID 114323283
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene?
The IUPAC name of 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene (CID 55219495) is 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene?
The canonical SMILES for 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene is Clc1cc(Br)ccc1OCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene?
The InChIKey is YKYAFVXEHVKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClOS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5H,6H2.
What are the key properties of 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene?
2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene has a molecular weight of 382.50 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-bromo-2-chlorophenoxy)methyl]thiophene is sourced from PubChem (CID 55219495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).