2-(5-bromothiophen-2-yl)-5-phenylfuran

C14H9BrOS — CID 122234638

IUPAC2-(5-bromothiophen-2-yl)-5-phenylfuran
SMILESBrc1ccc(-c2ccc(-c3ccccc3)o2)s1
InChIInChI=1S/C14H9BrOS/c15-14-9-8-13(17-14)12-7-6-11(16-12)10-4-2-1-3-5-10/h1-9H
InChIKeyDENUIMMPQMDDDY-UHFFFAOYSA-N
MW305.20 g/mol
LogP5.44
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-5-phenylfuran

2-(5-bromothiophen-2-yl)-5-phenylfuran (PubChem CID 122234638) has the molecular formula C14H9BrOS and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-5-phenylfuran.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-5-phenylfuran
PubChem CID122234638
Molecular FormulaC14H9BrOS
Molecular Weight305.20 g/mol
Exact Mass303.96
IUPAC Name2-(5-bromothiophen-2-yl)-5-phenylfuran
SMILESBrc1ccc(-c2ccc(-c3ccccc3)o2)s1
InChIInChI=1S/C14H9BrOS/c15-14-9-8-13(17-14)12-7-6-11(16-12)10-4-2-1-3-5-10/h1-9H
InChIKeyDENUIMMPQMDDDY-UHFFFAOYSA-N
XLogP5.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.20
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-5-phenylfuran?
The IUPAC name of 2-(5-bromothiophen-2-yl)-5-phenylfuran (CID 122234638) is 2-(5-bromothiophen-2-yl)-5-phenylfuran.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-5-phenylfuran?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-5-phenylfuran is Brc1ccc(-c2ccc(-c3ccccc3)o2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-5-phenylfuran?
The InChIKey is DENUIMMPQMDDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrOS/c15-14-9-8-13(17-14)12-7-6-11(16-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(5-bromothiophen-2-yl)-5-phenylfuran?
2-(5-bromothiophen-2-yl)-5-phenylfuran has a molecular weight of 305.20 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-5-phenylfuran is sourced from PubChem (CID 122234638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).