2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene

C14H13Br2ClO2S — CID 104662253

IUPAC2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene
SMILESCOCCOc1ccc(C(Cl)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C14H13Br2ClO2S/c1-18-6-7-19-11-3-2-9(8-10(11)15)14(17)12-4-5-13(16)20-12/h2-5,8,14H,6-7H2,1H3
InChIKeyDAUZRGZMEYYJBW-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.63
Rot. Bonds6

About 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene

2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene (PubChem CID 104662253) has the molecular formula C14H13Br2ClO2S and a molecular weight of 440.58 g/mol. Its IUPAC name is 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene
PubChem CID104662253
Molecular FormulaC14H13Br2ClO2S
Molecular Weight440.58 g/mol
Exact Mass437.87
IUPAC Name2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene
SMILESCOCCOc1ccc(C(Cl)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C14H13Br2ClO2S/c1-18-6-7-19-11-3-2-9(8-10(11)15)14(17)12-4-5-13(16)20-12/h2-5,8,14H,6-7H2,1H3
InChIKeyDAUZRGZMEYYJBW-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-[(3-bromo-4-propoxyphenyl)-chloromethyl]thiophene
CID 104661972
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-chlorothiophene
CID 63427355
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-5-methylthiophene
CID 55199246
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
1-bromo-4-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2-methylbenzene
CID 104661898
2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene
CID 104662297
3-bromo-5-[(3-bromo-4-methoxyphenyl)-chloromethyl]-2-methylthiophene
CID 102835361
2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
CID 104662326
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpropan-1-amine
CID 104658275

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene?
The IUPAC name of 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene (CID 104662253) is 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene.
What is the SMILES notation for 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene?
The canonical SMILES for 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene is COCCOc1ccc(C(Cl)c2ccc(Br)s2)cc1Br.
What is the InChIKey of 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene?
The InChIKey is DAUZRGZMEYYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClO2S/c1-18-6-7-19-11-3-2-9(8-10(11)15)14(17)12-4-5-13(16)20-12/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene?
2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene has a molecular weight of 440.58 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene is sourced from PubChem (CID 104662253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).