1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran

C17H14O2S — CID 168864925

IUPAC1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran
SMILESCSC1=C(c2ccccc2)OC2Oc3ccccc3C12
InChIInChI=1S/C17H14O2S/c1-20-16-14-12-9-5-6-10-13(12)18-17(14)19-15(16)11-7-3-2-4-8-11/h2-10,14,17H,1H3
InChIKeyATCXHICBRKQZCR-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.25
Rot. Bonds2

About 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran

1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran (PubChem CID 168864925) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran
PubChem CID168864925
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran
SMILESCSC1=C(c2ccccc2)OC2Oc3ccccc3C12
InChIInChI=1S/C17H14O2S/c1-20-16-14-12-9-5-6-10-13(12)18-17(14)19-15(16)11-7-3-2-4-8-11/h2-10,14,17H,1H3
InChIKeyATCXHICBRKQZCR-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran 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 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran?
The IUPAC name of 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran (CID 168864925) is 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran.
What is the SMILES notation for 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran?
The canonical SMILES for 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran is CSC1=C(c2ccccc2)OC2Oc3ccccc3C12.
What is the InChIKey of 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran?
The InChIKey is ATCXHICBRKQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-20-16-14-12-9-5-6-10-13(12)18-17(14)19-15(16)11-7-3-2-4-8-11/h2-10,14,17H,1H3.
What are the key properties of 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran?
1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran has a molecular weight of 282.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-phenyl-3a,8b-dihydrofuro[2,3-b][1]benzofuran is sourced from PubChem (CID 168864925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).