4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one

C18H16O2S — CID 139588275

IUPAC4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one
SMILESCSC(C1=C(c2ccccc2)COC1=O)c1ccccc1
InChIInChI=1S/C18H16O2S/c1-21-17(14-10-6-3-7-11-14)16-15(12-20-18(16)19)13-8-4-2-5-9-13/h2-11,17H,12H2,1H3
InChIKeyLERHNLJFPVTCOI-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.10
Rot. Bonds4

About 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one

4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one (PubChem CID 139588275) has the molecular formula C18H16O2S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one
PubChem CID139588275
Molecular FormulaC18H16O2S
Molecular Weight296.39 g/mol
Exact Mass296.09
IUPAC Name4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one
SMILESCSC(C1=C(c2ccccc2)COC1=O)c1ccccc1
InChIInChI=1S/C18H16O2S/c1-21-17(14-10-6-3-7-11-14)16-15(12-20-18(16)19)13-8-4-2-5-9-13/h2-11,17H,12H2,1H3
InChIKeyLERHNLJFPVTCOI-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one 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-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one?
The IUPAC name of 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one (CID 139588275) is 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one?
The canonical SMILES for 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one is CSC(C1=C(c2ccccc2)COC1=O)c1ccccc1.
What is the InChIKey of 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one?
The InChIKey is LERHNLJFPVTCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2S/c1-21-17(14-10-6-3-7-11-14)16-15(12-20-18(16)19)13-8-4-2-5-9-13/h2-11,17H,12H2,1H3.
What are the key properties of 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one?
4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one has a molecular weight of 296.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylsulfanyl(phenyl)methyl]-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 139588275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).