5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene

C10H8ClIOS — CID 131146490

IUPAC5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
SMILESCOc1csc2cc(I)c(CCl)cc12
InChIInChI=1S/C10H8ClIOS/c1-13-9-5-14-10-3-8(12)6(4-11)2-7(9)10/h2-3,5H,4H2,1H3
InChIKeyHYPCMGMBZVJFGJ-UHFFFAOYSA-N
MW338.60 g/mol
LogP4.25
Rot. Bonds2

About 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene

5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene (PubChem CID 131146490) has the molecular formula C10H8ClIOS and a molecular weight of 338.60 g/mol. Its IUPAC name is 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
PubChem CID131146490
Molecular FormulaC10H8ClIOS
Molecular Weight338.60 g/mol
Exact Mass337.90
IUPAC Name5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
SMILESCOc1csc2cc(I)c(CCl)cc12
InChIInChI=1S/C10H8ClIOS/c1-13-9-5-14-10-3-8(12)6(4-11)2-7(9)10/h2-3,5H,4H2,1H3
InChIKeyHYPCMGMBZVJFGJ-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

5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050
5-chloro-3-ethoxy-6-iodo-1-benzothiophene
CID 130866122
3-methoxy-5-methyl-1-benzothiophen-6-ol
CID 131080839
6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
CID 131215542
3-iodo-5-methoxy-1-benzothiophene-6-thiol
CID 130788340
5-bromo-3-iodo-6-methoxy-1-benzothiophene
CID 130884034
5-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 131169453
[5-(chloromethyl)-2-iodo-4-methoxyphenyl]methyl acetate
CID 101011806
5-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
CID 130941891
4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722
3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
CID 131122640

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene?
The IUPAC name of 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene (CID 131146490) is 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene.
What is the SMILES notation for 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene?
The canonical SMILES for 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene is COc1csc2cc(I)c(CCl)cc12.
What is the InChIKey of 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene?
The InChIKey is HYPCMGMBZVJFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIOS/c1-13-9-5-14-10-3-8(12)6(4-11)2-7(9)10/h2-3,5H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene?
5-(chloromethyl)-6-iodo-3-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 5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene is sourced from PubChem (CID 131146490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).