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

C25H20O6S — CID 160610749

IUPAC(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)/C(=C/c3ccccc3O)OC2=O)cc1
InChIInChI=1S/C25H20O6S/c1-30-19-11-7-17(8-12-19)24-23(16-9-13-20(14-10-16)32(2,28)29)22(31-25(24)27)15-18-5-3-4-6-21(18)26/h3-15,26H,1-2H3/b22-15-
InChIKeyRFMDCPQWVCYOQS-JCMHNJIXSA-N
MW448.50 g/mol
LogP4.31
Rot. Bonds5

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

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 160610749) has the molecular formula C25H20O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID160610749
Molecular FormulaC25H20O6S
Molecular Weight448.50 g/mol
Exact Mass448.10
IUPAC Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCOc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)/C(=C/c3ccccc3O)OC2=O)cc1
InChIInChI=1S/C25H20O6S/c1-30-19-11-7-17(8-12-19)24-23(16-9-13-20(14-10-16)32(2,28)29)22(31-25(24)27)15-18-5-3-4-6-21(18)26/h3-15,26H,1-2H3/b22-15-
InChIKeyRFMDCPQWVCYOQS-JCMHNJIXSA-N
XLogP4.31
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.31
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-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-5-(naphthalen-1-ylmethylidene)furan-2-one
CID 71740939
(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
CID 71740479
(5Z)-3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylidene]-4-(4-methylsulfonylphenyl)furan-2-one
CID 71740818
(5Z)-4-hydroxy-3-(4-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 54722214
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
(5Z)-3-(2-chlorophenyl)-4-(4-methylsulfonylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]furan-2-one
CID 71740477
5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
CID 163039669
1-methoxy-4-[5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370545
3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1-phenylpyrrol-2-ol
CID 90687245
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
(Z)-3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-2-phenylprop-2-en-1-one
CID 46934100
(4-methylsulfonylphenyl) 2-(4-methoxyphenyl)-2-oxoacetate
CID 58981556

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one (CID 160610749) is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one is COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)/C(=C/c3ccccc3O)OC2=O)cc1.
What is the InChIKey of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is RFMDCPQWVCYOQS-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H20O6S/c1-30-19-11-7-17(8-12-19)24-23(16-9-13-20(14-10-16)32(2,28)29)22(31-25(24)27)15-18-5-3-4-6-21(18)26/h3-15,26H,1-2H3/b22-15-.
What are the key properties of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one?
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 448.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 160610749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).