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

C25H20O5S — CID 71740090

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
SMILESCOc1ccccc1/C=C1\OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H20O5S/c1-29-21-11-7-6-10-19(21)16-22-23(18-12-14-20(15-13-18)31(2,27)28)24(25(26)30-22)17-8-4-3-5-9-17/h3-16H,1-2H3/b22-16-
InChIKeyVLSHIJIKLYYKRO-JWGURIENSA-N
MW432.50 g/mol
LogP4.61
Rot. Bonds5

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

(5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one (PubChem CID 71740090) has the molecular formula C25H20O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
PubChem CID71740090
Molecular FormulaC25H20O5S
Molecular Weight432.50 g/mol
Exact Mass432.10
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one
SMILESCOc1ccccc1/C=C1\OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H20O5S/c1-29-21-11-7-6-10-19(21)16-22-23(18-12-14-20(15-13-18)31(2,27)28)24(25(26)30-22)17-8-4-3-5-9-17/h3-16H,1-2H3/b22-16-
InChIKeyVLSHIJIKLYYKRO-JWGURIENSA-N
XLogP4.61
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.61
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)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one (CID 71740090) is (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one is COc1ccccc1/C=C1\OC(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
The InChIKey is VLSHIJIKLYYKRO-JWGURIENSA-N. The full InChI is InChI=1S/C25H20O5S/c1-29-21-11-7-6-10-19(21)16-22-23(18-12-14-20(15-13-18)31(2,27)28)24(25(26)30-22)17-8-4-3-5-9-17/h3-16H,1-2H3/b22-16-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one?
(5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one has a molecular weight of 432.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)-3-phenylfuran-2-one is sourced from PubChem (CID 71740090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).