1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol

C13H9BrO2S — CID 106859446

IUPAC1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
SMILESOC(c1ccoc1Br)c1cccc2ccsc12
InChIInChI=1S/C13H9BrO2S/c14-13-10(4-6-16-13)11(15)9-3-1-2-8-5-7-17-12(8)9/h1-7,11,15H
InChIKeyHHFADNRHDZSXSY-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.34
Rot. Bonds2

About 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol

1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol (PubChem CID 106859446) has the molecular formula C13H9BrO2S and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
PubChem CID106859446
Molecular FormulaC13H9BrO2S
Molecular Weight309.18 g/mol
Exact Mass307.95
IUPAC Name1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
SMILESOC(c1ccoc1Br)c1cccc2ccsc12
InChIInChI=1S/C13H9BrO2S/c14-13-10(4-6-16-13)11(15)9-3-1-2-8-5-7-17-12(8)9/h1-7,11,15H
InChIKeyHHFADNRHDZSXSY-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

1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
CID 115827334
1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
CID 81154092
1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
1-benzothiophen-7-yl(quinolin-4-yl)methanol
CID 81132794
1-benzothiophen-7-yl-(4-bromo-2-fluorophenyl)methanol
CID 81142904
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
CID 81141862
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
CID 115827311
1-benzothiophen-7-yl-[4-(dimethylamino)phenyl]methanol
CID 81141860
1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
CID 105119193
1-(1-benzothiophen-7-yl)-2-methylpropane-1,2-diol
CID 103448864

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol (CID 106859446) is 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol is OC(c1ccoc1Br)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol?
The InChIKey is HHFADNRHDZSXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2S/c14-13-10(4-6-16-13)11(15)9-3-1-2-8-5-7-17-12(8)9/h1-7,11,15H.
What are the key properties of 1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol?
1-benzothiophen-7-yl-(2-bromofuran-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-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol is sourced from PubChem (CID 106859446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).