6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol

C10H9ClO2S — CID 131195864

IUPAC6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
SMILESCOc1cc2ccsc2c(O)c1CCl
InChIInChI=1S/C10H9ClO2S/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4,12H,5H2,1H3
InChIKeyMVVZIWWENROUMI-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.35
Rot. Bonds2

About 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol

6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol (PubChem CID 131195864) has the molecular formula C10H9ClO2S and a molecular weight of 228.70 g/mol. Its IUPAC name is 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
PubChem CID131195864
Molecular FormulaC10H9ClO2S
Molecular Weight228.70 g/mol
Exact Mass228.00
IUPAC Name6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
SMILESCOc1cc2ccsc2c(O)c1CCl
InChIInChI=1S/C10H9ClO2S/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4,12H,5H2,1H3
InChIKeyMVVZIWWENROUMI-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-7-methoxy-1-benzothiophene
CID 130050629
6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
CID 130855156
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
(7-methoxy-1-benzothiophen-5-yl)methanol
CID 130050628
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130839682
7-bromo-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130821104
6-(bromomethyl)-5-sulfanyl-1-benzothiophen-7-ol
CID 131031347
6-(chloromethyl)-7-fluoro-5-methyl-1-benzothiophene
CID 130840062
6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol
CID 130878622
(7-methoxy-1-benzothiophen-5-yl)methanamine
CID 130050630

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol?
The IUPAC name of 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol (CID 131195864) is 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol.
What is the SMILES notation for 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol?
The canonical SMILES for 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol is COc1cc2ccsc2c(O)c1CCl.
What is the InChIKey of 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol?
The InChIKey is MVVZIWWENROUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2S/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4,12H,5H2,1H3.
What are the key properties of 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol?
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol has a molecular weight of 228.70 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol is sourced from PubChem (CID 131195864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).