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

C25H19ClO5S — CID 71740591

IUPAC(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H19ClO5S/c1-30-18-11-7-16(8-12-18)15-22-23(17-9-13-19(14-10-17)32(2,28)29)24(25(27)31-22)20-5-3-4-6-21(20)26/h3-15H,1-2H3/b22-15-
InChIKeyZHYHUYDRFAPDSF-JCMHNJIXSA-N
MW466.94 g/mol
LogP5.26
Rot. Bonds5

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

(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 71740591) has the molecular formula C25H19ClO5S and a molecular weight of 466.94 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID71740591
Molecular FormulaC25H19ClO5S
Molecular Weight466.94 g/mol
Exact Mass466.06
IUPAC Name(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H19ClO5S/c1-30-18-11-7-16(8-12-18)15-22-23(17-9-13-19(14-10-17)32(2,28)29)24(25(27)31-22)20-5-3-4-6-21(20)26/h3-15H,1-2H3/b22-15-
InChIKeyZHYHUYDRFAPDSF-JCMHNJIXSA-N
XLogP5.26
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 55.26
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-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (CID 71740591) is (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is COc1ccc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is ZHYHUYDRFAPDSF-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H19ClO5S/c1-30-18-11-7-16(8-12-18)15-22-23(17-9-13-19(14-10-17)32(2,28)29)24(25(27)31-22)20-5-3-4-6-21(20)26/h3-15H,1-2H3/b22-15-.
What are the key properties of (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 466.94 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 71740591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).