7-bromo-2-methoxy-3-methyl-1-benzothiophene

C10H9BrOS — CID 130914555

IUPAC7-bromo-2-methoxy-3-methyl-1-benzothiophene
SMILESCOc1sc2c(Br)cccc2c1C
InChIInChI=1S/C10H9BrOS/c1-6-7-4-3-5-8(11)9(7)13-10(6)12-2/h3-5H,1-2H3
InChIKeyYWWQRORYHZLNQL-UHFFFAOYSA-N
MW257.15 g/mol
LogP3.98
Rot. Bonds1

About 7-bromo-2-methoxy-3-methyl-1-benzothiophene

7-bromo-2-methoxy-3-methyl-1-benzothiophene (PubChem CID 130914555) has the molecular formula C10H9BrOS and a molecular weight of 257.15 g/mol. Its IUPAC name is 7-bromo-2-methoxy-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-2-methoxy-3-methyl-1-benzothiophene
PubChem CID130914555
Molecular FormulaC10H9BrOS
Molecular Weight257.15 g/mol
Exact Mass255.96
IUPAC Name7-bromo-2-methoxy-3-methyl-1-benzothiophene
SMILESCOc1sc2c(Br)cccc2c1C
InChIInChI=1S/C10H9BrOS/c1-6-7-4-3-5-8(11)9(7)13-10(6)12-2/h3-5H,1-2H3
InChIKeyYWWQRORYHZLNQL-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-methoxy-3-methyl-1-benzothiophene
CID 131098387
7-bromo-3-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130839726
7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
CID 130985434
6-bromo-3-methoxydibenzothiophene
CID 54757061
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943
7-bromo-2-methyl-1-benzothiophene-3-carbonitrile
CID 130792711
2,7-dibromo-3-chloro-1-benzothiophene
CID 130883075
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
7-bromo-3-(bromomethyl)-1-benzothiophene-2-thiol
CID 131030774
4-bromo-6-chlorodibenzothiophene
CID 54757064
7-bromo-2-ethyl-1-benzothiophene-3-thiol
CID 130883111
2-bromo-7-fluoro-3-methyl-1-benzothiophene
CID 131080274

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-3-methyl-1-benzothiophene?
The IUPAC name of 7-bromo-2-methoxy-3-methyl-1-benzothiophene (CID 130914555) is 7-bromo-2-methoxy-3-methyl-1-benzothiophene.
What is the SMILES notation for 7-bromo-2-methoxy-3-methyl-1-benzothiophene?
The canonical SMILES for 7-bromo-2-methoxy-3-methyl-1-benzothiophene is COc1sc2c(Br)cccc2c1C.
What is the InChIKey of 7-bromo-2-methoxy-3-methyl-1-benzothiophene?
The InChIKey is YWWQRORYHZLNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS/c1-6-7-4-3-5-8(11)9(7)13-10(6)12-2/h3-5H,1-2H3.
What are the key properties of 7-bromo-2-methoxy-3-methyl-1-benzothiophene?
7-bromo-2-methoxy-3-methyl-1-benzothiophene has a molecular weight of 257.15 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methoxy-3-methyl-1-benzothiophene is sourced from PubChem (CID 130914555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).