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

C25H19ClO6S — CID 71740479

IUPAC(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1cc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)ccc1O
InChIInChI=1S/C25H19ClO6S/c1-31-21-13-15(7-12-20(21)27)14-22-23(16-8-10-17(11-9-16)33(2,29)30)24(25(28)32-22)18-5-3-4-6-19(18)26/h3-14,27H,1-2H3/b22-14-
InChIKeyUMUZJYBQPSYQFS-HMAPJEAMSA-N
MW482.94 g/mol
LogP4.97
Rot. Bonds5

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

(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 71740479) has the molecular formula C25H19ClO6S and a molecular weight of 482.94 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID71740479
Molecular FormulaC25H19ClO6S
Molecular Weight482.94 g/mol
Exact Mass482.06
IUPAC Name(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1cc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)ccc1O
InChIInChI=1S/C25H19ClO6S/c1-31-21-13-15(7-12-20(21)27)14-22-23(16-8-10-17(11-9-16)33(2,29)30)24(25(28)32-22)18-5-3-4-6-19(18)26/h3-14,27H,1-2H3/b22-14-
InChIKeyUMUZJYBQPSYQFS-HMAPJEAMSA-N
XLogP4.97
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-3-(2-chlorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 71740477
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
CID 160610749
(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
CID 71740818
2-methoxy-4-(4-methylsulfonylphenyl)phenol
CID 53221054
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
7-chloro-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171130256
5-chloro-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,6-dimethyl-1-benzofuran-3-one
CID 171131542
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468152
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6199787
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3H-inden-1-one
CID 5386986
(2E,6E)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 127025747
1,3-dichloro-2-methoxy-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451274

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one (CID 71740479) is (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is COc1cc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)ccc1O.
What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is UMUZJYBQPSYQFS-HMAPJEAMSA-N. The full InChI is InChI=1S/C25H19ClO6S/c1-31-21-13-15(7-12-20(21)27)14-22-23(16-8-10-17(11-9-16)33(2,29)30)24(25(28)32-22)18-5-3-4-6-19(18)26/h3-14,27H,1-2H3/b22-14-.
What are the key properties of (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one?
(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 482.94 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 71740479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).