3-methoxy-2-phenylsulfanyl-2H-furan-5-one

C11H10O3S — CID 12820643

IUPAC3-methoxy-2-phenylsulfanyl-2H-furan-5-one
SMILESCOC1=CC(=O)OC1Sc1ccccc1
InChIInChI=1S/C11H10O3S/c1-13-9-7-10(12)14-11(9)15-8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKeyABYVSQSHTJYJGF-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.19
Rot. Bonds3

About 3-methoxy-2-phenylsulfanyl-2H-furan-5-one

3-methoxy-2-phenylsulfanyl-2H-furan-5-one (PubChem CID 12820643) has the molecular formula C11H10O3S and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-methoxy-2-phenylsulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name3-methoxy-2-phenylsulfanyl-2H-furan-5-one
PubChem CID12820643
Molecular FormulaC11H10O3S
Molecular Weight222.26 g/mol
Exact Mass222.04
IUPAC Name3-methoxy-2-phenylsulfanyl-2H-furan-5-one
SMILESCOC1=CC(=O)OC1Sc1ccccc1
InChIInChI=1S/C11H10O3S/c1-13-9-7-10(12)14-11(9)15-8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKeyABYVSQSHTJYJGF-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylsulfanyl-2H-furan-5-one?
The IUPAC name of 3-methoxy-2-phenylsulfanyl-2H-furan-5-one (CID 12820643) is 3-methoxy-2-phenylsulfanyl-2H-furan-5-one.
What is the SMILES notation for 3-methoxy-2-phenylsulfanyl-2H-furan-5-one?
The canonical SMILES for 3-methoxy-2-phenylsulfanyl-2H-furan-5-one is COC1=CC(=O)OC1Sc1ccccc1.
What is the InChIKey of 3-methoxy-2-phenylsulfanyl-2H-furan-5-one?
The InChIKey is ABYVSQSHTJYJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-13-9-7-10(12)14-11(9)15-8-5-3-2-4-6-8/h2-7,11H,1H3.
What are the key properties of 3-methoxy-2-phenylsulfanyl-2H-furan-5-one?
3-methoxy-2-phenylsulfanyl-2H-furan-5-one has a molecular weight of 222.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 12820643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).