1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol

C13H9BrO2S — CID 105128806

IUPAC1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
SMILESOC(c1csc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C13H9BrO2S/c14-12-6-9(7-17-12)13(15)11-5-8-3-1-2-4-10(8)16-11/h1-7,13,15H
InChIKeyVSWJZGFMIZOSHP-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.34
Rot. Bonds2

About 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol

1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol (PubChem CID 105128806) has the molecular formula C13H9BrO2S and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
PubChem CID105128806
Molecular FormulaC13H9BrO2S
Molecular Weight309.18 g/mol
Exact Mass307.95
IUPAC Name1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol
SMILESOC(c1csc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C13H9BrO2S/c14-12-6-9(7-17-12)13(15)11-5-8-3-1-2-4-10(8)16-11/h1-7,13,15H
InChIKeyVSWJZGFMIZOSHP-UHFFFAOYSA-N
XLogP4.34
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
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1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanol
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CID 114723309
1-benzofuran-2-yl-(2-bromo-6-fluorophenyl)methanol
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1-benzofuran-2-yl-(2-bromo-5-chlorophenyl)methanol
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(5-bromothiophen-3-yl)-thiophen-2-ylmethanol
CID 105079878
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
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1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol (CID 105128806) is 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol is OC(c1csc(Br)c1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol?
The InChIKey is VSWJZGFMIZOSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2S/c14-12-6-9(7-17-12)13(15)11-5-8-3-1-2-4-10(8)16-11/h1-7,13,15H.
What are the key properties of 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol?
1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol has a molecular weight of 309.18 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-bromothiophen-3-yl)methanol is sourced from PubChem (CID 105128806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).