1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol

C15H10Br2OS — CID 115827334

IUPAC1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
SMILESOC(c1cc(Br)ccc1Br)c1cccc2ccsc12
InChIInChI=1S/C15H10Br2OS/c16-10-4-5-13(17)12(8-10)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8,14,18H
InChIKeyKUIPYEXRGARVQL-UHFFFAOYSA-N
MW398.12 g/mol
LogP5.51
Rot. Bonds2

About 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol

1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol (PubChem CID 115827334) has the molecular formula C15H10Br2OS and a molecular weight of 398.12 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
PubChem CID115827334
Molecular FormulaC15H10Br2OS
Molecular Weight398.12 g/mol
Exact Mass395.88
IUPAC Name1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol
SMILESOC(c1cc(Br)ccc1Br)c1cccc2ccsc12
InChIInChI=1S/C15H10Br2OS/c16-10-4-5-13(17)12(8-10)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8,14,18H
InChIKeyKUIPYEXRGARVQL-UHFFFAOYSA-N
XLogP5.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.12
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-7-yl-(4-bromo-2-fluorophenyl)methanol
CID 81142904
1-benzothiophen-7-yl-(4-bromothiophen-2-yl)methanol
CID 81154092
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-(5-bromothiophen-3-yl)methanol
CID 105119099
1-benzothiophen-7-yl-(2-bromofuran-3-yl)methanol
CID 106859446
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-bromophenyl)methanamine
CID 81152966
[1-benzothiophen-7-yl-(5-bromo-2-fluorophenyl)methyl]hydrazine
CID 105280614
1-benzothiophen-7-yl-(2-bromo-5-methylphenyl)methanamine
CID 105022123
1-benzothiophen-7-yl-(4-bromo-2-methylphenyl)methanamine
CID 105021831

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol?
The IUPAC name of 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol (CID 115827334) is 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol.
What is the SMILES notation for 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol?
The canonical SMILES for 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol is OC(c1cc(Br)ccc1Br)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol?
The InChIKey is KUIPYEXRGARVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2OS/c16-10-4-5-13(17)12(8-10)14(18)11-3-1-2-9-6-7-19-15(9)11/h1-8,14,18H.
What are the key properties of 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol?
1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol has a molecular weight of 398.12 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(2,5-dibromophenyl)methanol is sourced from PubChem (CID 115827334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).