4,6-difluoro-7-methoxydibenzothiophen-3-ol

C13H8F2O2S — CID 131993041

IUPAC4,6-difluoro-7-methoxydibenzothiophen-3-ol
SMILESCOc1ccc2c(sc3c(F)c(O)ccc32)c1F
InChIInChI=1S/C13H8F2O2S/c1-17-9-5-3-7-6-2-4-8(16)10(14)12(6)18-13(7)11(9)15/h2-5,16H,1H3
InChIKeyFTQSSHFAGGNVQW-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.05
Rot. Bonds1

About 4,6-difluoro-7-methoxydibenzothiophen-3-ol

4,6-difluoro-7-methoxydibenzothiophen-3-ol (PubChem CID 131993041) has the molecular formula C13H8F2O2S and a molecular weight of 266.27 g/mol. Its IUPAC name is 4,6-difluoro-7-methoxydibenzothiophen-3-ol.

Molecular Properties

Compound Name4,6-difluoro-7-methoxydibenzothiophen-3-ol
PubChem CID131993041
Molecular FormulaC13H8F2O2S
Molecular Weight266.27 g/mol
Exact Mass266.02
IUPAC Name4,6-difluoro-7-methoxydibenzothiophen-3-ol
SMILESCOc1ccc2c(sc3c(F)c(O)ccc32)c1F
InChIInChI=1S/C13H8F2O2S/c1-17-9-5-3-7-6-2-4-8(16)10(14)12(6)18-13(7)11(9)15/h2-5,16H,1H3
InChIKeyFTQSSHFAGGNVQW-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-difluoro-7-methoxydibenzothiophen-3-ol 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 4,6-difluoro-7-methoxydibenzothiophen-3-ol?
The IUPAC name of 4,6-difluoro-7-methoxydibenzothiophen-3-ol (CID 131993041) is 4,6-difluoro-7-methoxydibenzothiophen-3-ol.
What is the SMILES notation for 4,6-difluoro-7-methoxydibenzothiophen-3-ol?
The canonical SMILES for 4,6-difluoro-7-methoxydibenzothiophen-3-ol is COc1ccc2c(sc3c(F)c(O)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-7-methoxydibenzothiophen-3-ol?
The InChIKey is FTQSSHFAGGNVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O2S/c1-17-9-5-3-7-6-2-4-8(16)10(14)12(6)18-13(7)11(9)15/h2-5,16H,1H3.
What are the key properties of 4,6-difluoro-7-methoxydibenzothiophen-3-ol?
4,6-difluoro-7-methoxydibenzothiophen-3-ol has a molecular weight of 266.27 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-7-methoxydibenzothiophen-3-ol is sourced from PubChem (CID 131993041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).