4-(dimethoxymethyl)dibenzothiophene

C15H14O2S — CID 54058862

IUPAC4-(dimethoxymethyl)dibenzothiophene
SMILESCOC(OC)c1cccc2c1sc1ccccc12
InChIInChI=1S/C15H14O2S/c1-16-15(17-2)12-8-5-7-11-10-6-3-4-9-13(10)18-14(11)12/h3-9,15H,1-2H3
InChIKeyLYFFUIMAEPPKJA-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.35
Rot. Bonds3

About 4-(dimethoxymethyl)dibenzothiophene

4-(dimethoxymethyl)dibenzothiophene (PubChem CID 54058862) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-(dimethoxymethyl)dibenzothiophene.

Molecular Properties

Compound Name4-(dimethoxymethyl)dibenzothiophene
PubChem CID54058862
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name4-(dimethoxymethyl)dibenzothiophene
SMILESCOC(OC)c1cccc2c1sc1ccccc12
InChIInChI=1S/C15H14O2S/c1-16-15(17-2)12-8-5-7-11-10-6-3-4-9-13(10)18-14(11)12/h3-9,15H,1-2H3
InChIKeyLYFFUIMAEPPKJA-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.35
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 4-(dimethoxymethyl)dibenzothiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)dibenzothiophene?
The IUPAC name of 4-(dimethoxymethyl)dibenzothiophene (CID 54058862) is 4-(dimethoxymethyl)dibenzothiophene.
What is the SMILES notation for 4-(dimethoxymethyl)dibenzothiophene?
The canonical SMILES for 4-(dimethoxymethyl)dibenzothiophene is COC(OC)c1cccc2c1sc1ccccc12.
What is the InChIKey of 4-(dimethoxymethyl)dibenzothiophene?
The InChIKey is LYFFUIMAEPPKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c1-16-15(17-2)12-8-5-7-11-10-6-3-4-9-13(10)18-14(11)12/h3-9,15H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)dibenzothiophene?
4-(dimethoxymethyl)dibenzothiophene has a molecular weight of 258.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)dibenzothiophene is sourced from PubChem (CID 54058862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).