2-(methoxymethyl)-7-methyl-1-benzothiophene

C11H12OS — CID 117186455

IUPAC2-(methoxymethyl)-7-methyl-1-benzothiophene
SMILESCOCc1cc2cccc(C)c2s1
InChIInChI=1S/C11H12OS/c1-8-4-3-5-9-6-10(7-12-2)13-11(8)9/h3-6H,7H2,1-2H3
InChIKeyWKMFUCMJLNWJRG-UHFFFAOYSA-N
MW192.28 g/mol
LogP3.36
Rot. Bonds2

About 2-(methoxymethyl)-7-methyl-1-benzothiophene

2-(methoxymethyl)-7-methyl-1-benzothiophene (PubChem CID 117186455) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-(methoxymethyl)-7-methyl-1-benzothiophene
PubChem CID117186455
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name2-(methoxymethyl)-7-methyl-1-benzothiophene
SMILESCOCc1cc2cccc(C)c2s1
InChIInChI=1S/C11H12OS/c1-8-4-3-5-9-6-10(7-12-2)13-11(8)9/h3-6H,7H2,1-2H3
InChIKeyWKMFUCMJLNWJRG-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(7-methyl-1-benzothiophen-2-yl)methanamine
CID 117186428
N-[(7-methyl-1-benzothiophen-2-yl)methyl]ethanamine
CID 117186457
N-methyl-3-(7-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 117196659
2-[(4-methoxyphenoxy)methyl]-1-benzothiophen-7-amine
CID 117183296
2-(methoxymethyl)-7-methyl-1-benzofuran
CID 117186379
7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
CID 117183285
7-(methoxymethyl)-1-methylnaphthalene
CID 122580391
[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine
CID 117176290
2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene
CID 14398703
5-(methoxymethyl)-2-methyl-3-phenylthiophene
CID 58250213
2-(ethoxymethyl)-1-benzothiophene-7-carboxylic acid
CID 117183387
2-(methoxymethyl)-5-methylthiophene
CID 15121011

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-methyl-1-benzothiophene?
The IUPAC name of 2-(methoxymethyl)-7-methyl-1-benzothiophene (CID 117186455) is 2-(methoxymethyl)-7-methyl-1-benzothiophene.
What is the SMILES notation for 2-(methoxymethyl)-7-methyl-1-benzothiophene?
The canonical SMILES for 2-(methoxymethyl)-7-methyl-1-benzothiophene is COCc1cc2cccc(C)c2s1.
What is the InChIKey of 2-(methoxymethyl)-7-methyl-1-benzothiophene?
The InChIKey is WKMFUCMJLNWJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-8-4-3-5-9-6-10(7-12-2)13-11(8)9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-7-methyl-1-benzothiophene?
2-(methoxymethyl)-7-methyl-1-benzothiophene has a molecular weight of 192.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-methyl-1-benzothiophene is sourced from PubChem (CID 117186455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).