[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol

C10H8ClIOS — CID 131014412

IUPAC[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
SMILESOCc1cc(CCl)c(I)c2sccc12
InChIInChI=1S/C10H8ClIOS/c11-4-6-3-7(5-13)8-1-2-14-10(8)9(6)12/h1-3,13H,4-5H2
InChIKeyCZUXFMLUJVNZDK-UHFFFAOYSA-N
MW338.60 g/mol
LogP3.74
Rot. Bonds2

About [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol

[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol (PubChem CID 131014412) has the molecular formula C10H8ClIOS and a molecular weight of 338.60 g/mol. Its IUPAC name is [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol.

Molecular Properties

Compound Name[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
PubChem CID131014412
Molecular FormulaC10H8ClIOS
Molecular Weight338.60 g/mol
Exact Mass337.90
IUPAC Name[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
SMILESOCc1cc(CCl)c(I)c2sccc12
InChIInChI=1S/C10H8ClIOS/c11-4-6-3-7(5-13)8-1-2-14-10(8)9(6)12/h1-3,13H,4-5H2
InChIKeyCZUXFMLUJVNZDK-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.60
LogP ≤ 53.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol?
The IUPAC name of [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol (CID 131014412) is [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol.
What is the SMILES notation for [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol?
The canonical SMILES for [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol is OCc1cc(CCl)c(I)c2sccc12.
What is the InChIKey of [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol?
The InChIKey is CZUXFMLUJVNZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIOS/c11-4-6-3-7(5-13)8-1-2-14-10(8)9(6)12/h1-3,13H,4-5H2.
What are the key properties of [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol?
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol has a molecular weight of 338.60 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol is sourced from PubChem (CID 131014412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).