1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol

C13H9BrOS2 — CID 81154092

IUPAC1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
SMILESOC(c1cc(Br)cs1)c1cccc2ccsc12
InChIInChI=1S/C13H9BrOS2/c14-9-6-11(17-7-9)12(15)10-3-1-2-8-4-5-16-13(8)10/h1-7,12,15H
InChIKeyWXEADORHEZSZEU-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.81
Rot. Bonds2

About 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol

1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol (PubChem CID 81154092) has the molecular formula C13H9BrOS2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
PubChem CID81154092
Molecular FormulaC13H9BrOS2
Molecular Weight325.25 g/mol
Exact Mass323.93
IUPAC Name1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
SMILESOC(c1cc(Br)cs1)c1cccc2ccsc12
InChIInChI=1S/C13H9BrOS2/c14-9-6-11(17-7-9)12(15)10-3-1-2-8-4-5-16-13(8)10/h1-7,12,15H
InChIKeyWXEADORHEZSZEU-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(5-bromothiophen-3-yl)methanol
CID 105119099
1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
CID 115827334
1-benzothiophen-7-yl-(4-bromo-2-fluorophenyl)methanol
CID 81142904
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
CID 106859446
1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methanol
CID 115827311
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
1-benzothiophen-7-yl-(2,4-difluorophenyl)methanol
CID 81141862
1-benzothiophen-7-yl(thiadiazol-4-yl)methanol
CID 105119193
1-benzothiophen-7-yl(quinolin-4-yl)methanol
CID 81132794
1-benzothiophen-7-yl-(3-bromophenyl)methanamine
CID 81152966
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol (CID 81154092) is 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol is OC(c1cc(Br)cs1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol?
The InChIKey is WXEADORHEZSZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrOS2/c14-9-6-11(17-7-9)12(15)10-3-1-2-8-4-5-16-13(8)10/h1-7,12,15H.
What are the key properties of 1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol?
1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol has a molecular weight of 325.25 g/mol, XLogP of 4.81, 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-(4-bromothiophen-2-yl)methanol is sourced from PubChem (CID 81154092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).