(5-bromofuran-2-yl)-thiophen-3-ylmethanol

C9H7BrO2S — CID 65099554

IUPAC(5-bromofuran-2-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1ccc(Br)o1
InChIInChI=1S/C9H7BrO2S/c10-8-2-1-7(12-8)9(11)6-3-4-13-5-6/h1-5,9,11H
InChIKeyMPHJMDVAXGQZSU-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.19
Rot. Bonds2

About (5-bromofuran-2-yl)-thiophen-3-ylmethanol

(5-bromofuran-2-yl)-thiophen-3-ylmethanol (PubChem CID 65099554) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-thiophen-3-ylmethanol
PubChem CID65099554
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name(5-bromofuran-2-yl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1ccc(Br)o1
InChIInChI=1S/C9H7BrO2S/c10-8-2-1-7(12-8)9(11)6-3-4-13-5-6/h1-5,9,11H
InChIKeyMPHJMDVAXGQZSU-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921
N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 104652974
(R)-furan-2-yl(thiophen-3-yl)methanol
CID 95256698
(5-bromofuran-2-yl)-(1,2-thiazol-3-yl)methanol
CID 131101510
(5-bromofuran-2-yl)-(4-methoxyphenyl)methanol
CID 61099698
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541
thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858
(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanol
CID 114885783
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
(3-bromo-2-chlorophenyl)-thiophen-3-ylmethanol
CID 115805570
1-thiophen-3-ylethanol
CID 12744375
(1S)-1-thiophen-3-ylethanol
CID 11297979

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-thiophen-3-ylmethanol?
The IUPAC name of (5-bromofuran-2-yl)-thiophen-3-ylmethanol (CID 65099554) is (5-bromofuran-2-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (5-bromofuran-2-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (5-bromofuran-2-yl)-thiophen-3-ylmethanol is OC(c1ccsc1)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-thiophen-3-ylmethanol?
The InChIKey is MPHJMDVAXGQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c10-8-2-1-7(12-8)9(11)6-3-4-13-5-6/h1-5,9,11H.
What are the key properties of (5-bromofuran-2-yl)-thiophen-3-ylmethanol?
(5-bromofuran-2-yl)-thiophen-3-ylmethanol has a molecular weight of 259.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 65099554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).