2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

C18H14F2O4S — CID 10594921

IUPAC2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one
SMILESCS(=O)(=O)c1ccc(C2=C(Oc3cc(F)cc(F)c3)C(=O)CC2)cc1
InChIInChI=1S/C18H14F2O4S/c1-25(22,23)15-4-2-11(3-5-15)16-6-7-17(21)18(16)24-14-9-12(19)8-13(20)10-14/h2-5,8-10H,6-7H2,1H3
InChIKeyJPWYHHBGIBBALT-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.52
Rot. Bonds4

About 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one (PubChem CID 10594921) has the molecular formula C18H14F2O4S and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one
PubChem CID10594921
Molecular FormulaC18H14F2O4S
Molecular Weight364.37 g/mol
Exact Mass364.06
IUPAC Name2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one
SMILESCS(=O)(=O)c1ccc(C2=C(Oc3cc(F)cc(F)c3)C(=O)CC2)cc1
InChIInChI=1S/C18H14F2O4S/c1-25(22,23)15-4-2-11(3-5-15)16-6-7-17(21)18(16)24-14-9-12(19)8-13(20)10-14/h2-5,8-10H,6-7H2,1H3
InChIKeyJPWYHHBGIBBALT-UHFFFAOYSA-N
XLogP3.52
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-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 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one (CID 10594921) is 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one is CS(=O)(=O)c1ccc(C2=C(Oc3cc(F)cc(F)c3)C(=O)CC2)cc1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one?
The InChIKey is JPWYHHBGIBBALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2O4S/c1-25(22,23)15-4-2-11(3-5-15)16-6-7-17(21)18(16)24-14-9-12(19)8-13(20)10-14/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one?
2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one has a molecular weight of 364.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 10594921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).