2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene

C12H9Br2ClOS — CID 63534198

IUPAC2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
SMILESClCc1cccc(Br)c1OCc1ccc(Br)s1
InChIInChI=1S/C12H9Br2ClOS/c13-10-3-1-2-8(6-15)12(10)16-7-9-4-5-11(14)17-9/h1-5H,6-7H2
InChIKeyKOIXTMAPTKZFJR-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.59
Rot. Bonds4

About 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene

2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene (PubChem CID 63534198) has the molecular formula C12H9Br2ClOS and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
PubChem CID63534198
Molecular FormulaC12H9Br2ClOS
Molecular Weight396.53 g/mol
Exact Mass393.84
IUPAC Name2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene
SMILESClCc1cccc(Br)c1OCc1ccc(Br)s1
InChIInChI=1S/C12H9Br2ClOS/c13-10-3-1-2-8(6-15)12(10)16-7-9-4-5-11(14)17-9/h1-5H,6-7H2
InChIKeyKOIXTMAPTKZFJR-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.59
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

2-bromo-5-[[2-bromo-6-(bromomethyl)phenoxy]methyl]thiophene
CID 55224001
2-bromo-5-[(2-bromo-6-nitrophenoxy)methyl]thiophene
CID 81499595
2-bromo-5-[[2-(bromomethyl)-6-fluorophenoxy]methyl]thiophene
CID 112614060
1-[3-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 61390194
[2-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 28562651
1-bromo-3-(chloromethyl)-2-(phenylmethoxymethoxy)benzene
CID 102939932
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
1-bromo-3-(chloromethyl)-2-(2-fluoroethoxy)benzene
CID 80694612
1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
1-bromo-2-[(4-tert-butylphenyl)methoxy]-3-(chloromethyl)benzene
CID 63534527
N-[[2-[(5-bromothiophen-2-yl)methoxy]-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 115954849

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene?
The IUPAC name of 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene (CID 63534198) is 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene?
The canonical SMILES for 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene is ClCc1cccc(Br)c1OCc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene?
The InChIKey is KOIXTMAPTKZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClOS/c13-10-3-1-2-8(6-15)12(10)16-7-9-4-5-11(14)17-9/h1-5H,6-7H2.
What are the key properties of 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene?
2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene has a molecular weight of 396.53 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[2-bromo-6-(chloromethyl)phenoxy]methyl]thiophene is sourced from PubChem (CID 63534198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).