[5-(5-bromothiophen-2-yl)furan-2-yl]methanol

C9H7BrO2S — CID 71530015

IUPAC[5-(5-bromothiophen-2-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Br)s2)o1
InChIInChI=1S/C9H7BrO2S/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-4,11H,5H2
InChIKeyTYUQIOPYBGAYAK-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.26
Rot. Bonds2

About [5-(5-bromothiophen-2-yl)furan-2-yl]methanol

[5-(5-bromothiophen-2-yl)furan-2-yl]methanol (PubChem CID 71530015) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is [5-(5-bromothiophen-2-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-bromothiophen-2-yl)furan-2-yl]methanol
PubChem CID71530015
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name[5-(5-bromothiophen-2-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2ccc(Br)s2)o1
InChIInChI=1S/C9H7BrO2S/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-4,11H,5H2
InChIKeyTYUQIOPYBGAYAK-UHFFFAOYSA-N
XLogP3.26
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-5-phenylfuran
CID 122234638
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
(5-thiophen-3-ylfuran-2-yl)methanol
CID 19744465
[5-(2,4,6-tribromophenyl)furan-2-yl]methanol
CID 60895636
[4-[5-(hydroxymethyl)furan-2-yl]phenyl]methanol
CID 163843794
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanol
CID 28693697
[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
CID 107622909
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
[5-(4-ethylphenyl)furan-2-yl]methanol
CID 60894732
[2,5-bis(5-bromothiophen-2-yl)thiophen-3-yl]methanol
CID 163704234
2-amino-4-[5-(hydroxymethyl)furan-2-yl]-5-methyl-6-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 56871087
(5-naphthalen-1-ylfuran-2-yl)methanol
CID 60894914

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromothiophen-2-yl)furan-2-yl]methanol?
The IUPAC name of [5-(5-bromothiophen-2-yl)furan-2-yl]methanol (CID 71530015) is [5-(5-bromothiophen-2-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(5-bromothiophen-2-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(5-bromothiophen-2-yl)furan-2-yl]methanol is OCc1ccc(-c2ccc(Br)s2)o1.
What is the InChIKey of [5-(5-bromothiophen-2-yl)furan-2-yl]methanol?
The InChIKey is TYUQIOPYBGAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-4,11H,5H2.
What are the key properties of [5-(5-bromothiophen-2-yl)furan-2-yl]methanol?
[5-(5-bromothiophen-2-yl)furan-2-yl]methanol has a molecular weight of 259.12 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromothiophen-2-yl)furan-2-yl]methanol is sourced from PubChem (CID 71530015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).