2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene

C10H8Cl2OS — CID 130969587

IUPAC2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(CCl)c(Cl)sc2c1
InChIInChI=1S/C10H8Cl2OS/c1-13-6-2-3-7-8(5-11)10(12)14-9(7)4-6/h2-4H,5H2,1H3
InChIKeyBLOQEKXQYWMYHF-UHFFFAOYSA-N
MW247.15 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene

2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene (PubChem CID 130969587) has the molecular formula C10H8Cl2OS and a molecular weight of 247.15 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
PubChem CID130969587
Molecular FormulaC10H8Cl2OS
Molecular Weight247.15 g/mol
Exact Mass245.97
IUPAC Name2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(CCl)c(Cl)sc2c1
InChIInChI=1S/C10H8Cl2OS/c1-13-6-2-3-7-8(5-11)10(12)14-9(7)4-6/h2-4H,5H2,1H3
InChIKeyBLOQEKXQYWMYHF-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 54.30
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

2-chloro-3-(chloromethyl)-5-methoxy-1-benzothiophene
CID 130926294
2-(6-methoxy-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 83912133
2-(2-chloro-6-methoxy-1-benzothiophen-3-yl)-6-(2-chloro-6-methyl-1-benzothiophen-3-yl)aniline
CID 167581161
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
CID 131031026
(4-ethylphenyl) 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 905320
6-methoxy-2-nitro-1-benzothiophen-3-amine
CID 19800047
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 11326918
2-chloro-6-fluoro-3-methoxy-1-benzothiophene
CID 130839104
3-chloro-6-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 34315616
N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972150
3-cycloheptyl-6-methoxy-2-methyl-1-benzothiophene
CID 69482888
2-(chloromethyl)-5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophene
CID 18794411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
The IUPAC name of 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene (CID 130969587) is 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene.
What is the SMILES notation for 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
The canonical SMILES for 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene is COc1ccc2c(CCl)c(Cl)sc2c1.
What is the InChIKey of 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
The InChIKey is BLOQEKXQYWMYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2OS/c1-13-6-2-3-7-8(5-11)10(12)14-9(7)4-6/h2-4H,5H2,1H3.
What are the key properties of 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene?
2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene has a molecular weight of 247.15 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene is sourced from PubChem (CID 130969587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).