4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene

C10H8Cl2OS — CID 130839682

IUPAC4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
SMILESCOc1cc2sccc2c(Cl)c1CCl
InChIInChI=1S/C10H8Cl2OS/c1-13-8-4-9-6(2-3-14-9)10(12)7(8)5-11/h2-4H,5H2,1H3
InChIKeyHKUUXDQNKNXYGB-UHFFFAOYSA-N
MW247.15 g/mol
LogP4.30
Rot. Bonds2

About 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene

4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene (PubChem CID 130839682) has the molecular formula C10H8Cl2OS and a molecular weight of 247.15 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
PubChem CID130839682
Molecular FormulaC10H8Cl2OS
Molecular Weight247.15 g/mol
Exact Mass245.97
IUPAC Name4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
SMILESCOc1cc2sccc2c(Cl)c1CCl
InChIInChI=1S/C10H8Cl2OS/c1-13-8-4-9-6(2-3-14-9)10(12)7(8)5-11/h2-4H,5H2,1H3
InChIKeyHKUUXDQNKNXYGB-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

4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
5-iodo-6-methoxy-1-benzothiophen-4-amine
CID 130955850
6-(chloromethyl)-4-methoxy-5-methyl-1-benzothiophene
CID 130840117
4-chloro-6-(chloromethyl)-5-iodo-1-benzothiophene
CID 131138214
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
5-bromo-4-(chloromethyl)-6-methyl-1-benzothiophene
CID 131031310
4,5,6-trichloro-1-benzothiophene
CID 91440805
11,23-dimethoxy-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(24),2(10),3,5(9),7,11,13,15,17(21),19,22-undecaene
CID 134578727
6-chloro-N-[2-(5-methoxy-1-benzothiophen-4-yl)ethyl]pyrimidin-4-amine
CID 135380239
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
CID 130941192
6-methoxy-5-methylsulfanyl-1-benzothiophene-4-thiol
CID 130971317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene?
The IUPAC name of 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene (CID 130839682) is 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene?
The canonical SMILES for 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene is COc1cc2sccc2c(Cl)c1CCl.
What is the InChIKey of 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene?
The InChIKey is HKUUXDQNKNXYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2OS/c1-13-8-4-9-6(2-3-14-9)10(12)7(8)5-11/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene?
4-chloro-5-(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 4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene is sourced from PubChem (CID 130839682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).