2-bromo-5-methoxy-1-benzothiophene

C9H7BrOS — CID 74891301

IUPAC2-bromo-5-methoxy-1-benzothiophene
SMILESCOc1ccc2sc(Br)cc2c1
InChIInChI=1S/C9H7BrOS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h2-5H,1H3
InChIKeyMRHYAPQJCMSGCE-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.67
Rot. Bonds1

About 2-bromo-5-methoxy-1-benzothiophene

2-bromo-5-methoxy-1-benzothiophene (PubChem CID 74891301) has the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol. Its IUPAC name is 2-bromo-5-methoxy-1-benzothiophene.

Molecular Properties

Compound Name2-bromo-5-methoxy-1-benzothiophene
PubChem CID74891301
Molecular FormulaC9H7BrOS
Molecular Weight243.12 g/mol
Exact Mass241.94
IUPAC Name2-bromo-5-methoxy-1-benzothiophene
SMILESCOc1ccc2sc(Br)cc2c1
InChIInChI=1S/C9H7BrOS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h2-5H,1H3
InChIKeyMRHYAPQJCMSGCE-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-1-benzothiophene?
The IUPAC name of 2-bromo-5-methoxy-1-benzothiophene (CID 74891301) is 2-bromo-5-methoxy-1-benzothiophene.
What is the SMILES notation for 2-bromo-5-methoxy-1-benzothiophene?
The canonical SMILES for 2-bromo-5-methoxy-1-benzothiophene is COc1ccc2sc(Br)cc2c1.
What is the InChIKey of 2-bromo-5-methoxy-1-benzothiophene?
The InChIKey is MRHYAPQJCMSGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h2-5H,1H3.
What are the key properties of 2-bromo-5-methoxy-1-benzothiophene?
2-bromo-5-methoxy-1-benzothiophene has a molecular weight of 243.12 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-1-benzothiophene is sourced from PubChem (CID 74891301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).