7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene

C11H11ClOS — CID 130985677

IUPAC7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene
SMILESCOc1ccc(CCl)c2sc(C)cc12
InChIInChI=1S/C11H11ClOS/c1-7-5-9-10(13-2)4-3-8(6-12)11(9)14-7/h3-5H,6H2,1-2H3
InChIKeyZEAZUMJWNJUABP-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.96
Rot. Bonds2

About 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene

7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene (PubChem CID 130985677) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene
PubChem CID130985677
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene
SMILESCOc1ccc(CCl)c2sc(C)cc12
InChIInChI=1S/C11H11ClOS/c1-7-5-9-10(13-2)4-3-8(6-12)11(9)14-7/h3-5H,6H2,1-2H3
InChIKeyZEAZUMJWNJUABP-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.96
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

4,7-dimethoxy-2-methyl-1-benzothiophene
CID 22890914
[4-(chloromethyl)-2-methyl-1-benzothiophen-7-yl]methanol
CID 131145347
2-[2-[2-(4,7-dimethoxy-1-benzothiophene-2-carbonyl)oxyethoxy]ethoxy]ethyl 4,7-dimethoxy-1-benzothiophene-2-carboxylate
CID 10603498
8-(chloromethyl)-5-methoxyquinoline
CID 66754973
7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
CID 131029505
4-(chloromethyl)-3-methoxy-7-methyl-1-benzothiophene
CID 130898608
7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
CID 131146423
6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
CID 131215542
3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine
CID 131190920
ethane;7-methoxy-2-methylthieno[3,2-b]pyridine
CID 143768764
(2-methyl-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131057346
1-(2,5-dimethylthiophen-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 86931333

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene?
The IUPAC name of 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene (CID 130985677) is 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene.
What is the SMILES notation for 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene?
The canonical SMILES for 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene is COc1ccc(CCl)c2sc(C)cc12.
What is the InChIKey of 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene?
The InChIKey is ZEAZUMJWNJUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c1-7-5-9-10(13-2)4-3-8(6-12)11(9)14-7/h3-5H,6H2,1-2H3.
What are the key properties of 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene?
7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene has a molecular weight of 226.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene is sourced from PubChem (CID 130985677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).