(5-bromo-1-benzothiophen-7-yl)methanol

C9H7BrOS — CID 169261568

IUPAC(5-bromo-1-benzothiophen-7-yl)methanol
SMILESOCc1cc(Br)cc2ccsc12
InChIInChI=1S/C9H7BrOS/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-4,11H,5H2
InChIKeyLKZKUICHOXNEOJ-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.16
Rot. Bonds1

About (5-bromo-1-benzothiophen-7-yl)methanol

(5-bromo-1-benzothiophen-7-yl)methanol (PubChem CID 169261568) has the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol. Its IUPAC name is (5-bromo-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1-benzothiophen-7-yl)methanol
PubChem CID169261568
Molecular FormulaC9H7BrOS
Molecular Weight243.12 g/mol
Exact Mass241.94
IUPAC Name(5-bromo-1-benzothiophen-7-yl)methanol
SMILESOCc1cc(Br)cc2ccsc12
InChIInChI=1S/C9H7BrOS/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-4,11H,5H2
InChIKeyLKZKUICHOXNEOJ-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzothiophen-7-yl)methanol?
The IUPAC name of (5-bromo-1-benzothiophen-7-yl)methanol (CID 169261568) is (5-bromo-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (5-bromo-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (5-bromo-1-benzothiophen-7-yl)methanol is OCc1cc(Br)cc2ccsc12.
What is the InChIKey of (5-bromo-1-benzothiophen-7-yl)methanol?
The InChIKey is LKZKUICHOXNEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-4,11H,5H2.
What are the key properties of (5-bromo-1-benzothiophen-7-yl)methanol?
(5-bromo-1-benzothiophen-7-yl)methanol has a molecular weight of 243.12 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 169261568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).