7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene

C10H8ClIOS — CID 131122640

IUPAC7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
SMILESCOc1c(I)cc(CCl)c2sccc12
InChIInChI=1S/C10H8ClIOS/c1-13-9-7-2-3-14-10(7)6(5-11)4-8(9)12/h2-4H,5H2,1H3
InChIKeyGDIYNXTYGRQBLW-UHFFFAOYSA-N
MW338.60 g/mol
LogP4.25
Rot. Bonds2

About 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene

7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene (PubChem CID 131122640) has the molecular formula C10H8ClIOS and a molecular weight of 338.60 g/mol. Its IUPAC name is 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
PubChem CID131122640
Molecular FormulaC10H8ClIOS
Molecular Weight338.60 g/mol
Exact Mass337.90
IUPAC Name7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
SMILESCOc1c(I)cc(CCl)c2sccc12
InChIInChI=1S/C10H8ClIOS/c1-13-9-7-2-3-14-10(7)6(5-11)4-8(9)12/h2-4H,5H2,1H3
InChIKeyGDIYNXTYGRQBLW-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene
CID 131218792
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
7-bromo-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130821104
5-(chloromethyl)-7-iodo-6-methyl-1-benzothiophene
CID 131002195
7-(chloromethyl)-1-benzothiophene-4,5-diol
CID 131191604
7-(chloromethyl)-4,5-difluoro-1-benzothiophene
CID 130786097
6-(chloromethyl)-4-methoxy-5-methyl-1-benzothiophene
CID 130840117
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
4-iodo-6-methoxy-1-benzothiophene-7-thiol
CID 131053809

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene?
The IUPAC name of 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene (CID 131122640) is 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene.
What is the SMILES notation for 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene?
The canonical SMILES for 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene is COc1c(I)cc(CCl)c2sccc12.
What is the InChIKey of 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene?
The InChIKey is GDIYNXTYGRQBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIOS/c1-13-9-7-2-3-14-10(7)6(5-11)4-8(9)12/h2-4H,5H2,1H3.
What are the key properties of 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene?
7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene has a molecular weight of 338.60 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene is sourced from PubChem (CID 131122640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).