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

C11H11BrOS — CID 130785943

IUPAC3-bromo-7-ethyl-2-methoxy-1-benzothiophene
SMILESCCc1cccc2c(Br)c(OC)sc12
InChIInChI=1S/C11H11BrOS/c1-3-7-5-4-6-8-9(12)11(13-2)14-10(7)8/h4-6H,3H2,1-2H3
InChIKeyLTYFUBHBQHQZGU-UHFFFAOYSA-N
MW271.18 g/mol
LogP4.23
Rot. Bonds2

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

3-bromo-7-ethyl-2-methoxy-1-benzothiophene (PubChem CID 130785943) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 3-bromo-7-ethyl-2-methoxy-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-7-ethyl-2-methoxy-1-benzothiophene
PubChem CID130785943
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name3-bromo-7-ethyl-2-methoxy-1-benzothiophene
SMILESCCc1cccc2c(Br)c(OC)sc12
InChIInChI=1S/C11H11BrOS/c1-3-7-5-4-6-8-9(12)11(13-2)14-10(7)8/h4-6H,3H2,1-2H3
InChIKeyLTYFUBHBQHQZGU-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7-chloro-2-ethoxy-1-benzothiophene
CID 130786023
2-(3-bromo-2-methyl-1-benzothiophen-7-yl)acetaldehyde
CID 87714844
ethane;4-ethyldibenzothiophene
CID 123227550
7-bromo-3-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130839726
7-bromo-2-methoxy-3-methyl-1-benzothiophene
CID 130914555
7-ethyl-2-iodo-1-benzothiophen-3-ol
CID 130825583
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
lithium;butane;6-ethyldibenzothiophen-4-ol
CID 87765195
4-ethyl-3-methoxy-1-benzothiophene-2-thiol
CID 131124437
7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
CID 130985434
3-bromo-7-(bromomethyl)-2-iodo-1-benzothiophene
CID 130969225
(3-bromo-2-fluoro-1-benzothiophen-7-yl)methanol
CID 130805667

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-ethyl-2-methoxy-1-benzothiophene?
The IUPAC name of 3-bromo-7-ethyl-2-methoxy-1-benzothiophene (CID 130785943) is 3-bromo-7-ethyl-2-methoxy-1-benzothiophene.
What is the SMILES notation for 3-bromo-7-ethyl-2-methoxy-1-benzothiophene?
The canonical SMILES for 3-bromo-7-ethyl-2-methoxy-1-benzothiophene is CCc1cccc2c(Br)c(OC)sc12.
What is the InChIKey of 3-bromo-7-ethyl-2-methoxy-1-benzothiophene?
The InChIKey is LTYFUBHBQHQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-3-7-5-4-6-8-9(12)11(13-2)14-10(7)8/h4-6H,3H2,1-2H3.
What are the key properties of 3-bromo-7-ethyl-2-methoxy-1-benzothiophene?
3-bromo-7-ethyl-2-methoxy-1-benzothiophene has a molecular weight of 271.18 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-ethyl-2-methoxy-1-benzothiophene is sourced from PubChem (CID 130785943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).