(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol

C15H9Br2FOS — CID 81154055

IUPAC(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1F)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9Br2FOS/c16-8-4-5-13(18)10(6-8)14(19)11-7-20-15-9(11)2-1-3-12(15)17/h1-7,14,19H
InChIKeyXIRKPTFUWBGFJH-UHFFFAOYSA-N
MW416.11 g/mol
LogP5.65
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol (PubChem CID 81154055) has the molecular formula C15H9Br2FOS and a molecular weight of 416.11 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
PubChem CID81154055
Molecular FormulaC15H9Br2FOS
Molecular Weight416.11 g/mol
Exact Mass413.87
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1F)c1csc2c(Br)cccc12
InChIInChI=1S/C15H9Br2FOS/c16-8-4-5-13(18)10(6-8)14(19)11-7-20-15-9(11)2-1-3-12(15)17/h1-7,14,19H
InChIKeyXIRKPTFUWBGFJH-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.11
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 81128771
7-bromo-3-[bromo-(2-fluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 81147736
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
CID 81128494
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
(7-bromo-1-benzothiophen-3-yl)-(2-methoxyphenyl)methanol
CID 81153527

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol (CID 81154055) is (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol is OC(c1cc(Br)ccc1F)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol?
The InChIKey is XIRKPTFUWBGFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FOS/c16-8-4-5-13(18)10(6-8)14(19)11-7-20-15-9(11)2-1-3-12(15)17/h1-7,14,19H.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol has a molecular weight of 416.11 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 81154055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).