(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one

C25H19FO5S — CID 71740938

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C(c3ccc(F)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H19FO5S/c1-30-20-11-3-16(4-12-20)15-22-23(17-7-13-21(14-8-17)32(2,28)29)24(25(27)31-22)18-5-9-19(26)10-6-18/h3-15H,1-2H3/b22-15-
InChIKeyLFZKLDMXRFTMCT-JCMHNJIXSA-N
MW450.49 g/mol
LogP4.75
Rot. Bonds5

About (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one

(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 71740938) has the molecular formula C25H19FO5S and a molecular weight of 450.49 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID71740938
Molecular FormulaC25H19FO5S
Molecular Weight450.49 g/mol
Exact Mass450.09
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C(c3ccc(F)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H19FO5S/c1-30-20-11-3-16(4-12-20)15-22-23(17-7-13-21(14-8-17)32(2,28)29)24(25(27)31-22)18-5-9-19(26)10-6-18/h3-15H,1-2H3/b22-15-
InChIKeyLFZKLDMXRFTMCT-JCMHNJIXSA-N
XLogP4.75
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (CID 71740938) is (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is COc1ccc(/C=C2\OC(=O)C(c3ccc(F)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is LFZKLDMXRFTMCT-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H19FO5S/c1-30-20-11-3-16(4-12-20)15-22-23(17-7-13-21(14-8-17)32(2,28)29)24(25(27)31-22)18-5-9-19(26)10-6-18/h3-15H,1-2H3/b22-15-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 450.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 71740938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).