(7-bromo-1-benzothiophen-2-yl)methanol

C9H7BrOS — CID 53396438

IUPAC(7-bromo-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2cccc(Br)c2s1
InChIInChI=1S/C9H7BrOS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4,11H,5H2
InChIKeyGOQLHIBVKJDKPR-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.16
Rot. Bonds1

About (7-bromo-1-benzothiophen-2-yl)methanol

(7-bromo-1-benzothiophen-2-yl)methanol (PubChem CID 53396438) has the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-2-yl)methanol
PubChem CID53396438
Molecular FormulaC9H7BrOS
Molecular Weight243.12 g/mol
Exact Mass241.94
IUPAC Name(7-bromo-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2cccc(Br)c2s1
InChIInChI=1S/C9H7BrOS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4,11H,5H2
InChIKeyGOQLHIBVKJDKPR-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 (7-bromo-1-benzothiophen-2-yl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-2-yl)methanol (CID 53396438) is (7-bromo-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-2-yl)methanol is OCc1cc2cccc(Br)c2s1.
What is the InChIKey of (7-bromo-1-benzothiophen-2-yl)methanol?
The InChIKey is GOQLHIBVKJDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4,11H,5H2.
What are the key properties of (7-bromo-1-benzothiophen-2-yl)methanol?
(7-bromo-1-benzothiophen-2-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 (7-bromo-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 53396438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).