7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol

C9H6ClIOS — CID 130971126

IUPAC7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
SMILESOc1csc2c(CCl)c(I)ccc12
InChIInChI=1S/C9H6ClIOS/c10-3-6-7(11)2-1-5-8(12)4-13-9(5)6/h1-2,4,12H,3H2
InChIKeyUVCRQXCOGDAKPU-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.95
Rot. Bonds1

About 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol

7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol (PubChem CID 130971126) has the molecular formula C9H6ClIOS and a molecular weight of 324.57 g/mol. Its IUPAC name is 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
PubChem CID130971126
Molecular FormulaC9H6ClIOS
Molecular Weight324.57 g/mol
Exact Mass323.89
IUPAC Name7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
SMILESOc1csc2c(CCl)c(I)ccc12
InChIInChI=1S/C9H6ClIOS/c10-3-6-7(11)2-1-5-8(12)4-13-9(5)6/h1-2,4,12H,3H2
InChIKeyUVCRQXCOGDAKPU-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
CID 130987982
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
1-benzothiophene-3,7-diol
CID 91345161
7-(bromomethyl)-3-fluoro-6-iodo-1-benzothiophene
CID 130914557
6-chloro-7-sulfanyl-1-benzothiophen-3-ol
CID 130793067
7-ethyl-6-iodo-3-methylsulfanyl-1-benzothiophene
CID 130854627
[3-amino-7-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130914343
3-bromo-7-(chloromethyl)-1-benzothiophene-6-thiol
CID 131030892
7-(chloromethyl)-6-iodo-1-benzothiophene-4-carbonitrile
CID 130951708
7-chloro-3-hydroxy-1-benzothiophene-6-carbonitrile
CID 131145943
7-(chloromethyl)-6-fluoro-3-methyl-1-benzothiophene
CID 130840063
3-bromo-7-(bromomethyl)-1-benzothiophen-6-ol
CID 131060149

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol?
The IUPAC name of 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol (CID 130971126) is 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol.
What is the SMILES notation for 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol?
The canonical SMILES for 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol is Oc1csc2c(CCl)c(I)ccc12.
What is the InChIKey of 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol?
The InChIKey is UVCRQXCOGDAKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIOS/c10-3-6-7(11)2-1-5-8(12)4-13-9(5)6/h1-2,4,12H,3H2.
What are the key properties of 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol?
7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol has a molecular weight of 324.57 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol is sourced from PubChem (CID 130971126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).