2-(dimethoxymethyl)-1-benzothiophene

C11H12O2S — CID 119086272

IUPAC2-(dimethoxymethyl)-1-benzothiophene
SMILESCOC(OC)c1cc2ccccc2s1
InChIInChI=1S/C11H12O2S/c1-12-11(13-2)10-7-8-5-3-4-6-9(8)14-10/h3-7,11H,1-2H3
InChIKeySPVORRGVWRBJNF-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.19
Rot. Bonds3

About 2-(dimethoxymethyl)-1-benzothiophene

2-(dimethoxymethyl)-1-benzothiophene (PubChem CID 119086272) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-1-benzothiophene
PubChem CID119086272
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name2-(dimethoxymethyl)-1-benzothiophene
SMILESCOC(OC)c1cc2ccccc2s1
InChIInChI=1S/C11H12O2S/c1-12-11(13-2)10-7-8-5-3-4-6-9(8)14-10/h3-7,11H,1-2H3
InChIKeySPVORRGVWRBJNF-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(dimethoxymethyl)-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
CID 114911206
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
CID 114909636
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-1-benzothiophene?
The IUPAC name of 2-(dimethoxymethyl)-1-benzothiophene (CID 119086272) is 2-(dimethoxymethyl)-1-benzothiophene.
What is the SMILES notation for 2-(dimethoxymethyl)-1-benzothiophene?
The canonical SMILES for 2-(dimethoxymethyl)-1-benzothiophene is COC(OC)c1cc2ccccc2s1.
What is the InChIKey of 2-(dimethoxymethyl)-1-benzothiophene?
The InChIKey is SPVORRGVWRBJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-12-11(13-2)10-7-8-5-3-4-6-9(8)14-10/h3-7,11H,1-2H3.
What are the key properties of 2-(dimethoxymethyl)-1-benzothiophene?
2-(dimethoxymethyl)-1-benzothiophene has a molecular weight of 208.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-1-benzothiophene is sourced from PubChem (CID 119086272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).