4-bromo-6-ethoxy-7-methyl-1-benzothiophene

C11H11BrOS — CID 130866038

IUPAC4-bromo-6-ethoxy-7-methyl-1-benzothiophene
SMILESCCOc1cc(Br)c2ccsc2c1C
InChIInChI=1S/C11H11BrOS/c1-3-13-10-6-9(12)8-4-5-14-11(8)7(10)2/h4-6H,3H2,1-2H3
InChIKeyFBRJPZTUHGVLGN-UHFFFAOYSA-N
MW271.18 g/mol
LogP4.37
Rot. Bonds2

About 4-bromo-6-ethoxy-7-methyl-1-benzothiophene

4-bromo-6-ethoxy-7-methyl-1-benzothiophene (PubChem CID 130866038) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-bromo-6-ethoxy-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-6-ethoxy-7-methyl-1-benzothiophene
PubChem CID130866038
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name4-bromo-6-ethoxy-7-methyl-1-benzothiophene
SMILESCCOc1cc(Br)c2ccsc2c1C
InChIInChI=1S/C11H11BrOS/c1-3-13-10-6-9(12)8-4-5-14-11(8)7(10)2/h4-6H,3H2,1-2H3
InChIKeyFBRJPZTUHGVLGN-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-ethoxy-1-benzothiophen-4-amine
CID 131031142
4-chloro-7-ethoxy-5-methyl-1-benzothiophene
CID 130941817
4-chloro-7-ethoxy-1-benzothiophene-5-thiol
CID 131096748
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
5-bromo-7-ethoxy-1-benzothiophene-6-thiol
CID 131014234
4,5-dibromo-7-methoxy-1-benzothiophene
CID 130926286
7-ethoxy-6-methyl-1-benzothiophen-5-amine
CID 130898368
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
2-(6-bromo-7-methyl-1-benzothiophen-4-yl)acetonitrile
CID 130956532
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
7-ethoxy-1-benzothiophene
CID 68789103
7-bromo-5-chloro-4-methyl-1-benzothiophene
CID 130969844

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethoxy-7-methyl-1-benzothiophene?
The IUPAC name of 4-bromo-6-ethoxy-7-methyl-1-benzothiophene (CID 130866038) is 4-bromo-6-ethoxy-7-methyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-6-ethoxy-7-methyl-1-benzothiophene?
The canonical SMILES for 4-bromo-6-ethoxy-7-methyl-1-benzothiophene is CCOc1cc(Br)c2ccsc2c1C.
What is the InChIKey of 4-bromo-6-ethoxy-7-methyl-1-benzothiophene?
The InChIKey is FBRJPZTUHGVLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-3-13-10-6-9(12)8-4-5-14-11(8)7(10)2/h4-6H,3H2,1-2H3.
What are the key properties of 4-bromo-6-ethoxy-7-methyl-1-benzothiophene?
4-bromo-6-ethoxy-7-methyl-1-benzothiophene has a molecular weight of 271.18 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-ethoxy-7-methyl-1-benzothiophene is sourced from PubChem (CID 130866038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).