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

C11H11BrOS — CID 130805590

IUPAC2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene
SMILESCOc1ccc(C)c2cc(CBr)sc12
InChIInChI=1S/C11H11BrOS/c1-7-3-4-10(13-2)11-9(7)5-8(6-12)14-11/h3-5H,6H2,1-2H3
InChIKeyYMSNJKOWXSJVGJ-UHFFFAOYSA-N
MW271.18 g/mol
LogP4.11
Rot. Bonds2

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

2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene (PubChem CID 130805590) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene
PubChem CID130805590
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene
SMILESCOc1ccc(C)c2cc(CBr)sc12
InChIInChI=1S/C11H11BrOS/c1-7-3-4-10(13-2)11-9(7)5-8(6-12)14-11/h3-5H,6H2,1-2H3
InChIKeyYMSNJKOWXSJVGJ-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 54.11
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-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
CID 130805587
2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
CID 130885124
4,7-dimethoxy-2-methyl-1-benzothiophene
CID 22890914
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
2-bromo-4-fluoro-7-methoxy-1-benzothiophene
CID 83920141
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
4-bromo-2-(bromomethyl)-7-methylsulfanyl-1-benzothiophene
CID 130971896
1,6-dimethoxy-2,7-dimethylnaphthalene
CID 146605331
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 131145576
2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol
CID 131034506
2-(bromomethyl)-4-[2-[3-(bromomethyl)-4-methoxyphenyl]propan-2-yl]-1-methylbenzene
CID 20821575

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene?
The IUPAC name of 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene (CID 130805590) is 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene.
What is the SMILES notation for 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene?
The canonical SMILES for 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene is COc1ccc(C)c2cc(CBr)sc12.
What is the InChIKey of 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene?
The InChIKey is YMSNJKOWXSJVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-7-3-4-10(13-2)11-9(7)5-8(6-12)14-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene?
2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene has a molecular weight of 271.18 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-methoxy-4-methyl-1-benzothiophene is sourced from PubChem (CID 130805590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).