7-chloro-2-ethoxy-5-iodo-1-benzothiophene

C10H8ClIOS — CID 131218419

IUPAC7-chloro-2-ethoxy-5-iodo-1-benzothiophene
SMILESCCOc1cc2cc(I)cc(Cl)c2s1
InChIInChI=1S/C10H8ClIOS/c1-2-13-9-4-6-3-7(12)5-8(11)10(6)14-9/h3-5H,2H2,1H3
InChIKeyUAGQTMLDKZFNEE-UHFFFAOYSA-N
MW338.60 g/mol
LogP4.56
Rot. Bonds2

About 7-chloro-2-ethoxy-5-iodo-1-benzothiophene

7-chloro-2-ethoxy-5-iodo-1-benzothiophene (PubChem CID 131218419) has the molecular formula C10H8ClIOS and a molecular weight of 338.60 g/mol. Its IUPAC name is 7-chloro-2-ethoxy-5-iodo-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-2-ethoxy-5-iodo-1-benzothiophene
PubChem CID131218419
Molecular FormulaC10H8ClIOS
Molecular Weight338.60 g/mol
Exact Mass337.90
IUPAC Name7-chloro-2-ethoxy-5-iodo-1-benzothiophene
SMILESCCOc1cc2cc(I)cc(Cl)c2s1
InChIInChI=1S/C10H8ClIOS/c1-2-13-9-4-6-3-7(12)5-8(11)10(6)14-9/h3-5H,2H2,1H3
InChIKeyUAGQTMLDKZFNEE-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethoxy-5-iodo-1-benzothiophene?
The IUPAC name of 7-chloro-2-ethoxy-5-iodo-1-benzothiophene (CID 131218419) is 7-chloro-2-ethoxy-5-iodo-1-benzothiophene.
What is the SMILES notation for 7-chloro-2-ethoxy-5-iodo-1-benzothiophene?
The canonical SMILES for 7-chloro-2-ethoxy-5-iodo-1-benzothiophene is CCOc1cc2cc(I)cc(Cl)c2s1.
What is the InChIKey of 7-chloro-2-ethoxy-5-iodo-1-benzothiophene?
The InChIKey is UAGQTMLDKZFNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIOS/c1-2-13-9-4-6-3-7(12)5-8(11)10(6)14-9/h3-5H,2H2,1H3.
What are the key properties of 7-chloro-2-ethoxy-5-iodo-1-benzothiophene?
7-chloro-2-ethoxy-5-iodo-1-benzothiophene has a molecular weight of 338.60 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethoxy-5-iodo-1-benzothiophene is sourced from PubChem (CID 131218419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).