6-bromo-1-benzothiophen-7-ol

C8H5BrOS — CID 69001230

IUPAC6-bromo-1-benzothiophen-7-ol
SMILESOc1c(Br)ccc2ccsc12
InChIInChI=1S/C8H5BrOS/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4,10H
InChIKeyCLPITSSRNFUREJ-UHFFFAOYSA-N
MW229.10 g/mol
LogP3.37
Rot. Bonds

About 6-bromo-1-benzothiophen-7-ol

6-bromo-1-benzothiophen-7-ol (PubChem CID 69001230) has the molecular formula C8H5BrOS and a molecular weight of 229.10 g/mol. Its IUPAC name is 6-bromo-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-bromo-1-benzothiophen-7-ol
PubChem CID69001230
Molecular FormulaC8H5BrOS
Molecular Weight229.10 g/mol
Exact Mass227.92
IUPAC Name6-bromo-1-benzothiophen-7-ol
SMILESOc1c(Br)ccc2ccsc12
InChIInChI=1S/C8H5BrOS/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4,10H
InChIKeyCLPITSSRNFUREJ-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-benzothiophen-7-ol?
The IUPAC name of 6-bromo-1-benzothiophen-7-ol (CID 69001230) is 6-bromo-1-benzothiophen-7-ol.
What is the SMILES notation for 6-bromo-1-benzothiophen-7-ol?
The canonical SMILES for 6-bromo-1-benzothiophen-7-ol is Oc1c(Br)ccc2ccsc12.
What is the InChIKey of 6-bromo-1-benzothiophen-7-ol?
The InChIKey is CLPITSSRNFUREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrOS/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4,10H.
What are the key properties of 6-bromo-1-benzothiophen-7-ol?
6-bromo-1-benzothiophen-7-ol has a molecular weight of 229.10 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-benzothiophen-7-ol is sourced from PubChem (CID 69001230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).