2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene

C11H11BrOS — CID 130805587

IUPAC2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
SMILESCOc1cc(C)c2sc(CBr)cc2c1
InChIInChI=1S/C11H11BrOS/c1-7-3-9(13-2)4-8-5-10(6-12)14-11(7)8/h3-5H,6H2,1-2H3
InChIKeyBXLIFTKKBGOJOH-UHFFFAOYSA-N
MW271.18 g/mol
LogP4.11
Rot. Bonds2

About 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene

2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene (PubChem CID 130805587) has the molecular formula C11H11BrOS and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
PubChem CID130805587
Molecular FormulaC11H11BrOS
Molecular Weight271.18 g/mol
Exact Mass269.97
IUPAC Name2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
SMILESCOc1cc(C)c2sc(CBr)cc2c1
InChIInChI=1S/C11H11BrOS/c1-7-3-9(13-2)4-8-5-10(6-12)14-11(7)8/h3-5H,6H2,1-2H3
InChIKeyBXLIFTKKBGOJOH-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)-7-methoxy-4-methyl-1-benzothiophene
CID 130805590
2-ethyl-5-methoxy-1-benzothiophene-7-thiol
CID 131057574
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-7-amine
CID 131053468
1-(bromomethyl)-2-chloro-5-methoxy-3-methylbenzene
CID 22965884
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
2-(bromomethyl)-7-methyl-1-benzothiophen-4-amine
CID 131075929
2-(methoxymethyl)-7-methyl-1-benzothiophene
CID 117186455
bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane
CID 14362702
7-ethyl-2-fluoro-5-methoxy-1-benzothiophene
CID 131097093
2-(4-bromobutan-2-yl)-5-methoxy-1,3-dimethylbenzene
CID 83940053
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
2-(bromomethyl)-5-hydroxy-1-benzothiophene-7-carbonitrile
CID 130826649

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene?
The IUPAC name of 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene (CID 130805587) is 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene.
What is the SMILES notation for 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene?
The canonical SMILES for 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene is COc1cc(C)c2sc(CBr)cc2c1.
What is the InChIKey of 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene?
The InChIKey is BXLIFTKKBGOJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrOS/c1-7-3-9(13-2)4-8-5-10(6-12)14-11(7)8/h3-5H,6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene?
2-(bromomethyl)-5-methoxy-7-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)-5-methoxy-7-methyl-1-benzothiophene is sourced from PubChem (CID 130805587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).