2-bromo-4-chloro-3-ethoxy-1-benzothiophene

C10H8BrClOS — CID 131034318

IUPAC2-bromo-4-chloro-3-ethoxy-1-benzothiophene
SMILESCCOc1c(Br)sc2cccc(Cl)c12
InChIInChI=1S/C10H8BrClOS/c1-2-13-9-8-6(12)4-3-5-7(8)14-10(9)11/h3-5H,2H2,1H3
InChIKeyXFTJBTUOKZIGJS-UHFFFAOYSA-N
MW291.60 g/mol
LogP4.72
Rot. Bonds2

About 2-bromo-4-chloro-3-ethoxy-1-benzothiophene

2-bromo-4-chloro-3-ethoxy-1-benzothiophene (PubChem CID 131034318) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-3-ethoxy-1-benzothiophene.

Molecular Properties

Compound Name2-bromo-4-chloro-3-ethoxy-1-benzothiophene
PubChem CID131034318
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name2-bromo-4-chloro-3-ethoxy-1-benzothiophene
SMILESCCOc1c(Br)sc2cccc(Cl)c12
InChIInChI=1S/C10H8BrClOS/c1-2-13-9-8-6(12)4-3-5-7(8)14-10(9)11/h3-5H,2H2,1H3
InChIKeyXFTJBTUOKZIGJS-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
1,8-dichloro-9,10-diethoxyanthracene
CID 139930191
3-ethoxy-2,4-dimethyl-1-benzothiophene
CID 131169695
3-bromo-7-chloro-2-ethoxy-1-benzothiophene
CID 130786023
(3-chloro-2-ethoxyphenyl)hydrazine
CID 130779145
3-bromo-4-ethoxy-1-benzothiophen-2-amine
CID 131098465
4,5-dichloro-2-ethoxy-1-benzothiophene
CID 130785955
3,4-dichloro-2-fluoro-1-benzothiophene
CID 130870260
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
1,5-dichloro-4-ethoxyisoquinoline
CID 86683274
ethyl 3-[(3-bromo-4-carbamoylphenoxy)methyl]-4-chloro-1-benzothiophene-2-carboxylate
CID 152695168
11-chloronaphtho[2,1-b][1]benzothiole
CID 166503443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-3-ethoxy-1-benzothiophene?
The IUPAC name of 2-bromo-4-chloro-3-ethoxy-1-benzothiophene (CID 131034318) is 2-bromo-4-chloro-3-ethoxy-1-benzothiophene.
What is the SMILES notation for 2-bromo-4-chloro-3-ethoxy-1-benzothiophene?
The canonical SMILES for 2-bromo-4-chloro-3-ethoxy-1-benzothiophene is CCOc1c(Br)sc2cccc(Cl)c12.
What is the InChIKey of 2-bromo-4-chloro-3-ethoxy-1-benzothiophene?
The InChIKey is XFTJBTUOKZIGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c1-2-13-9-8-6(12)4-3-5-7(8)14-10(9)11/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-4-chloro-3-ethoxy-1-benzothiophene?
2-bromo-4-chloro-3-ethoxy-1-benzothiophene has a molecular weight of 291.60 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-3-ethoxy-1-benzothiophene is sourced from PubChem (CID 131034318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).