3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one

C19H16F2O6S — CID 10112219

IUPAC3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOC1(C)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H16F2O6S/c1-19(25-2)16(11-4-7-13(8-5-11)28(3,23)24)17(18(22)27-19)26-12-6-9-14(20)15(21)10-12/h4-10H,1-3H3
InChIKeyMEVQAQCAEVVVBK-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.08
Rot. Bonds5

About 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one

3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 10112219) has the molecular formula C19H16F2O6S and a molecular weight of 410.39 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID10112219
Molecular FormulaC19H16F2O6S
Molecular Weight410.39 g/mol
Exact Mass410.06
IUPAC Name3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOC1(C)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H16F2O6S/c1-19(25-2)16(11-4-7-13(8-5-11)28(3,23)24)17(18(22)27-19)26-12-6-9-14(20)15(21)10-12/h4-10H,1-3H3
InChIKeyMEVQAQCAEVVVBK-UHFFFAOYSA-N
XLogP3.08
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-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 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one (CID 10112219) is 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one is COC1(C)OC(=O)C(Oc2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is MEVQAQCAEVVVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O6S/c1-19(25-2)16(11-4-7-13(8-5-11)28(3,23)24)17(18(22)27-19)26-12-6-9-14(20)15(21)10-12/h4-10H,1-3H3.
What are the key properties of 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one?
3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 410.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 10112219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).