[2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol

C10H8ClIOS — CID 131002183

IUPAC[2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol
SMILESOCc1cc2cc(CCl)sc2cc1I
InChIInChI=1S/C10H8ClIOS/c11-4-8-2-6-1-7(5-13)9(12)3-10(6)14-8/h1-3,13H,4-5H2
InChIKeyRWBGPFVBVRKYQI-UHFFFAOYSA-N
MW338.60 g/mol
LogP3.74
Rot. Bonds2

About [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol

[2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol (PubChem CID 131002183) has the molecular formula C10H8ClIOS and a molecular weight of 338.60 g/mol. Its IUPAC name is [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol
PubChem CID131002183
Molecular FormulaC10H8ClIOS
Molecular Weight338.60 g/mol
Exact Mass337.90
IUPAC Name[2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol
SMILESOCc1cc2cc(CCl)sc2cc1I
InChIInChI=1S/C10H8ClIOS/c11-4-8-2-6-1-7(5-13)9(12)3-10(6)14-8/h1-3,13H,4-5H2
InChIKeyRWBGPFVBVRKYQI-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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Related Compounds

[6-bromo-2-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130820875
5-bromo-2-(chloromethyl)-6-iodo-1-benzothiophene
CID 131138271
2-(chloromethyl)-5,6-dimethyl-1-benzothiophene
CID 130866193
2-(chloromethyl)-6-ethyl-1-benzothiophen-5-ol
CID 130969973
[5-amino-2-(chloromethyl)-1-benzothiophen-7-yl]methanol
CID 130826434
(2-chloro-6-fluoro-1-benzothiophen-5-yl)methanol
CID 130805781
2-(1-benzothiophen-2-yl)acetic acid;2-(1-benzothiophen-2-yl)acetonitrile;1-benzothiophen-2-ylmethanol;2-(chloromethyl)-1-benzothiophene
CID 157471793
(7-chloro-2-iodo-1-benzothiophen-4-yl)methanol
CID 131053981
(2,6-dibromo-1-benzothiophen-5-yl)methanol
CID 130785805
(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
[2-(chloromethyl)-5-fluoro-1-benzothiophen-4-yl]methanol
CID 130951760
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol?
The IUPAC name of [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol (CID 131002183) is [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol is OCc1cc2cc(CCl)sc2cc1I.
What is the InChIKey of [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol?
The InChIKey is RWBGPFVBVRKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIOS/c11-4-8-2-6-1-7(5-13)9(12)3-10(6)14-8/h1-3,13H,4-5H2.
What are the key properties of [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol?
[2-(chloromethyl)-6-iodo-1-benzothiophen-5-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 [2-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 131002183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).