2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene

C11H16Br2O3S — CID 162368553

IUPAC2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene
SMILESCOCCOCCOCCc1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2O3S/c1-14-4-5-16-7-6-15-3-2-9-8-10(12)17-11(9)13/h8H,2-7H2,1H3
InChIKeyAGEAKEPANJVKBZ-UHFFFAOYSA-N
MW388.12 g/mol
LogP3.50
Rot. Bonds9

About 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene

2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene (PubChem CID 162368553) has the molecular formula C11H16Br2O3S and a molecular weight of 388.12 g/mol. Its IUPAC name is 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene
PubChem CID162368553
Molecular FormulaC11H16Br2O3S
Molecular Weight388.12 g/mol
Exact Mass385.92
IUPAC Name2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene
SMILESCOCCOCCOCCc1cc(Br)sc1Br
InChIInChI=1S/C11H16Br2O3S/c1-14-4-5-16-7-6-15-3-2-9-8-10(12)17-11(9)13/h8H,2-7H2,1H3
InChIKeyAGEAKEPANJVKBZ-UHFFFAOYSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-3-[2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethyl]thiophene
CID 101216082
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 139824397
2-bromo-3-[2-(2-methoxyethoxymethoxy)ethyl]thiophene
CID 54043867
1-(2,5-dibromothiophen-3-yl)pentan-3-one
CID 122517209
2,5-dibromo-3-ethylthiophene
CID 14896125
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519
2,5-dibromo-3-(3,4-dibromohexyl)thiophene
CID 141391851
6-(2,5-dibromothiophen-3-yl)hexan-1-ol
CID 86013367
11-(2,5-dibromothiophen-3-yl)undecan-1-ol
CID 101496328
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene (CID 162368553) is 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene is COCCOCCOCCc1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene?
The InChIKey is AGEAKEPANJVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2O3S/c1-14-4-5-16-7-6-15-3-2-9-8-10(12)17-11(9)13/h8H,2-7H2,1H3.
What are the key properties of 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene?
2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene has a molecular weight of 388.12 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiophene is sourced from PubChem (CID 162368553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).