2-bromo-3-butoxythiophene

C8H11BrOS — CID 90107659

IUPAC2-bromo-3-butoxythiophene
SMILESCCCCOc1ccsc1Br
InChIInChI=1S/C8H11BrOS/c1-2-3-5-10-7-4-6-11-8(7)9/h4,6H,2-3,5H2,1H3
InChIKeyHBZAMKFSIIBAPI-UHFFFAOYSA-N
MW235.15 g/mol
LogP3.69
Rot. Bonds4

About 2-bromo-3-butoxythiophene

2-bromo-3-butoxythiophene (PubChem CID 90107659) has the molecular formula C8H11BrOS and a molecular weight of 235.15 g/mol. Its IUPAC name is 2-bromo-3-butoxythiophene.

Molecular Properties

Compound Name2-bromo-3-butoxythiophene
PubChem CID90107659
Molecular FormulaC8H11BrOS
Molecular Weight235.15 g/mol
Exact Mass233.97
IUPAC Name2-bromo-3-butoxythiophene
SMILESCCCCOc1ccsc1Br
InChIInChI=1S/C8H11BrOS/c1-2-3-5-10-7-4-6-11-8(7)9/h4,6H,2-3,5H2,1H3
InChIKeyHBZAMKFSIIBAPI-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-ethenyl-3-hexoxythiophene
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3,6-dibutoxythieno[3,2-b]thiophene
CID 170905012
4-bromo-1,2-dibutoxybenzene
CID 10870333
2-ethyl-3-propoxythiophene
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1,2,4-tribromo-5-butoxybenzene
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1,4-dibromo-2-butoxybenzene
CID 69260452
2-bromo-3-icosylthiophene
CID 141267982
2-bromo-3-dodecylthiophene
CID 10426816
2-tert-butyl-3-propoxythiophene
CID 59679241

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-butoxythiophene?
The IUPAC name of 2-bromo-3-butoxythiophene (CID 90107659) is 2-bromo-3-butoxythiophene.
What is the SMILES notation for 2-bromo-3-butoxythiophene?
The canonical SMILES for 2-bromo-3-butoxythiophene is CCCCOc1ccsc1Br.
What is the InChIKey of 2-bromo-3-butoxythiophene?
The InChIKey is HBZAMKFSIIBAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrOS/c1-2-3-5-10-7-4-6-11-8(7)9/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-bromo-3-butoxythiophene?
2-bromo-3-butoxythiophene has a molecular weight of 235.15 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-butoxythiophene is sourced from PubChem (CID 90107659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).