3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one

C17H14O2S — CID 11044235

IUPAC3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one
SMILESCSc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C17H14O2S/c1-20-14-9-7-12(8-10-14)15-11-19-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyUZLXCHVDUBCZMH-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.88
Rot. Bonds3

About 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one

3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one (PubChem CID 11044235) has the molecular formula C17H14O2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one
PubChem CID11044235
Molecular FormulaC17H14O2S
Molecular Weight282.36 g/mol
Exact Mass282.07
IUPAC Name3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one
SMILESCSc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
InChIInChI=1S/C17H14O2S/c1-20-14-9-7-12(8-10-14)15-11-19-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyUZLXCHVDUBCZMH-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one?
The IUPAC name of 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one (CID 11044235) is 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one is CSc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one?
The InChIKey is UZLXCHVDUBCZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2S/c1-20-14-9-7-12(8-10-14)15-11-19-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one?
3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one has a molecular weight of 282.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 11044235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).