3-bromo-7-chloro-2-ethoxy-1-benzothiophene

C10H8BrClOS — CID 130786023

IUPAC3-bromo-7-chloro-2-ethoxy-1-benzothiophene
SMILESCCOc1sc2c(Cl)cccc2c1Br
InChIInChI=1S/C10H8BrClOS/c1-2-13-10-8(11)6-4-3-5-7(12)9(6)14-10/h3-5H,2H2,1H3
InChIKeyKSVYMDJUZSOSKN-UHFFFAOYSA-N
MW291.60 g/mol
LogP4.72
Rot. Bonds2

About 3-bromo-7-chloro-2-ethoxy-1-benzothiophene

3-bromo-7-chloro-2-ethoxy-1-benzothiophene (PubChem CID 130786023) has the molecular formula C10H8BrClOS and a molecular weight of 291.60 g/mol. Its IUPAC name is 3-bromo-7-chloro-2-ethoxy-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-7-chloro-2-ethoxy-1-benzothiophene
PubChem CID130786023
Molecular FormulaC10H8BrClOS
Molecular Weight291.60 g/mol
Exact Mass289.92
IUPAC Name3-bromo-7-chloro-2-ethoxy-1-benzothiophene
SMILESCCOc1sc2c(Cl)cccc2c1Br
InChIInChI=1S/C10H8BrClOS/c1-2-13-10-8(11)6-4-3-5-7(12)9(6)14-10/h3-5H,2H2,1H3
InChIKeyKSVYMDJUZSOSKN-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

2,3-dibromo-7-chloro-1-benzothiophene
CID 118221624
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
4-bromo-6-chlorodibenzothiophene
CID 54757064
1,8-dichloro-9,10-diethoxyanthracene
CID 139930191
2-ethoxy-7-iodo-1-benzothiophene-3-thiol
CID 130898611
2-(bromomethyl)-3,7-dichloro-1-benzothiophene
CID 131169650
4-chloro-3-ethoxy-2-methyl-1-benzothiophene
CID 130884989
2-bromo-4-chloro-7-ethoxy-1-benzothiophene
CID 131080410
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
7-bromo-3-(chloromethyl)-2-methoxy-1-benzothiophene
CID 130839726
1,5-dichloro-4-ethoxyisoquinoline
CID 86683274

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-2-ethoxy-1-benzothiophene?
The IUPAC name of 3-bromo-7-chloro-2-ethoxy-1-benzothiophene (CID 130786023) is 3-bromo-7-chloro-2-ethoxy-1-benzothiophene.
What is the SMILES notation for 3-bromo-7-chloro-2-ethoxy-1-benzothiophene?
The canonical SMILES for 3-bromo-7-chloro-2-ethoxy-1-benzothiophene is CCOc1sc2c(Cl)cccc2c1Br.
What is the InChIKey of 3-bromo-7-chloro-2-ethoxy-1-benzothiophene?
The InChIKey is KSVYMDJUZSOSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS/c1-2-13-10-8(11)6-4-3-5-7(12)9(6)14-10/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-7-chloro-2-ethoxy-1-benzothiophene?
3-bromo-7-chloro-2-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 3-bromo-7-chloro-2-ethoxy-1-benzothiophene is sourced from PubChem (CID 130786023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).