4,6-difluoro-3-methoxy-7-propoxydibenzothiophene

C16H14F2O2S — CID 118458291

IUPAC4,6-difluoro-3-methoxy-7-propoxydibenzothiophene
SMILESCCCOc1ccc2c(sc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C16H14F2O2S/c1-3-8-20-12-7-5-10-9-4-6-11(19-2)13(17)15(9)21-16(10)14(12)18/h4-7H,3,8H2,1-2H3
InChIKeyNXZHXDQCZXOVCN-UHFFFAOYSA-N
MW308.35 g/mol
LogP5.13
Rot. Bonds4

About 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene

4,6-difluoro-3-methoxy-7-propoxydibenzothiophene (PubChem CID 118458291) has the molecular formula C16H14F2O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene.

Molecular Properties

Compound Name4,6-difluoro-3-methoxy-7-propoxydibenzothiophene
PubChem CID118458291
Molecular FormulaC16H14F2O2S
Molecular Weight308.35 g/mol
Exact Mass308.07
IUPAC Name4,6-difluoro-3-methoxy-7-propoxydibenzothiophene
SMILESCCCOc1ccc2c(sc3c(F)c(OC)ccc32)c1F
InChIInChI=1S/C16H14F2O2S/c1-3-8-20-12-7-5-10-9-4-6-11(19-2)13(17)15(9)21-16(10)14(12)18/h4-7H,3,8H2,1-2H3
InChIKeyNXZHXDQCZXOVCN-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.35
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene 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

Ttc-352
CID 74222430
6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
CID 850941
ISUPSL-CHO-2-188b
CID 24792630
3-(3-Fluoro-5-methoxyphenyl)-5-methoxy-2-(3-methoxyphenyl)-1-benzothiophene
CID 44142477
2-(4-Fluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol
CID 127042633
2-(3,4-Difluorophenoxy)-3-(4-fluorophenyl)-1-benzothiophen-6-ol
CID 127042930
3-(4-Methoxyphenyl)-1-benzothiophene
CID 3358921
2-(2-Methoxyphenyl)-3-(4-methoxyphenyl)-1-benzothiophene
CID 24819146
3-(3-Fluoro-4-methoxyphenyl)-5-methoxy-2-(2-methoxyphenyl)-1-benzothiophene
CID 44142400
3-(2-Fluoro-4-methoxyphenyl)-5-methoxy-2-(3-methoxyphenyl)-1-benzothiophene
CID 44142476
3-(2-Fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 53301498
1-Benzothiophen-6-yl ethyl ether
CID 268617

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene?
The IUPAC name of 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene (CID 118458291) is 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene.
What is the SMILES notation for 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene?
The canonical SMILES for 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene is CCCOc1ccc2c(sc3c(F)c(OC)ccc32)c1F.
What is the InChIKey of 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene?
The InChIKey is NXZHXDQCZXOVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2S/c1-3-8-20-12-7-5-10-9-4-6-11(19-2)13(17)15(9)21-16(10)14(12)18/h4-7H,3,8H2,1-2H3.
What are the key properties of 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene?
4,6-difluoro-3-methoxy-7-propoxydibenzothiophene has a molecular weight of 308.35 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-methoxy-7-propoxydibenzothiophene is sourced from PubChem (CID 118458291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).