5-(chloromethyl)-7-methoxy-1-benzothiophene

C10H9ClOS — CID 130050629

IUPAC5-(chloromethyl)-7-methoxy-1-benzothiophene
SMILESCOc1cc(CCl)cc2ccsc12
InChIInChI=1S/C10H9ClOS/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5H,6H2,1H3
InChIKeyWOEBGXQVRWKZIP-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.65
Rot. Bonds2

About 5-(chloromethyl)-7-methoxy-1-benzothiophene

5-(chloromethyl)-7-methoxy-1-benzothiophene (PubChem CID 130050629) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is 5-(chloromethyl)-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-(chloromethyl)-7-methoxy-1-benzothiophene
PubChem CID130050629
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name5-(chloromethyl)-7-methoxy-1-benzothiophene
SMILESCOc1cc(CCl)cc2ccsc12
InChIInChI=1S/C10H9ClOS/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5H,6H2,1H3
InChIKeyWOEBGXQVRWKZIP-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-1-benzothiophen-5-yl)methanol
CID 130050628
(7-methoxy-1-benzothiophen-5-yl)methanamine
CID 130050630
5-(chloromethyl)-7-methoxy-1-benzothiophene;5-ethyl-1-benzothiophen-7-ol;methyl 7-methoxy-1-benzothiophene-5-carboxylate
CID 167541866
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
7-bromo-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130821104
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
6,7-dimethoxy-1-benzothiophene
CID 23321121
5-(chloromethyl)-7-iodo-6-methyl-1-benzothiophene
CID 131002195
6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
CID 130855156
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-7-methoxy-1-benzothiophene?
The IUPAC name of 5-(chloromethyl)-7-methoxy-1-benzothiophene (CID 130050629) is 5-(chloromethyl)-7-methoxy-1-benzothiophene.
What is the SMILES notation for 5-(chloromethyl)-7-methoxy-1-benzothiophene?
The canonical SMILES for 5-(chloromethyl)-7-methoxy-1-benzothiophene is COc1cc(CCl)cc2ccsc12.
What is the InChIKey of 5-(chloromethyl)-7-methoxy-1-benzothiophene?
The InChIKey is WOEBGXQVRWKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-7-methoxy-1-benzothiophene?
5-(chloromethyl)-7-methoxy-1-benzothiophene has a molecular weight of 212.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-7-methoxy-1-benzothiophene is sourced from PubChem (CID 130050629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).