(5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one

C23H12Cl4O3 — CID 54728584

IUPAC(5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
SMILESO=C1O/C(=C\c2ccccc2-c2ccc(Cl)c(Cl)c2)C(O)=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H12Cl4O3/c24-16-7-5-13(9-18(16)26)15-4-2-1-3-12(15)11-20-22(28)21(23(29)30-20)14-6-8-17(25)19(27)10-14/h1-11,28H/b20-11-
InChIKeyALUZDKHJNXMHQW-JAIQZWGSSA-N
MW478.16 g/mol
LogP7.83
Rot. Bonds3

About (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one

(5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one (PubChem CID 54728584) has the molecular formula C23H12Cl4O3 and a molecular weight of 478.16 g/mol. Its IUPAC name is (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one.

Molecular Properties

Compound Name(5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
PubChem CID54728584
Molecular FormulaC23H12Cl4O3
Molecular Weight478.16 g/mol
Exact Mass475.95
IUPAC Name(5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
SMILESO=C1O/C(=C\c2ccccc2-c2ccc(Cl)c(Cl)c2)C(O)=C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H12Cl4O3/c24-16-7-5-13(9-18(16)26)15-4-2-1-3-12(15)11-20-22(28)21(23(29)30-20)14-6-8-17(25)19(27)10-14/h1-11,28H/b20-11-
InChIKeyALUZDKHJNXMHQW-JAIQZWGSSA-N
XLogP7.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.16
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
The IUPAC name of (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one (CID 54728584) is (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one.
What is the SMILES notation for (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
The canonical SMILES for (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one is O=C1O/C(=C\c2ccccc2-c2ccc(Cl)c(Cl)c2)C(O)=C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
The InChIKey is ALUZDKHJNXMHQW-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H12Cl4O3/c24-16-7-5-13(9-18(16)26)15-4-2-1-3-12(15)11-20-22(28)21(23(29)30-20)14-6-8-17(25)19(27)10-14/h1-11,28H/b20-11-.
What are the key properties of (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
(5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one has a molecular weight of 478.16 g/mol, XLogP of 7.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3,4-dichlorophenyl)-5-[[2-(3,4-dichlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one is sourced from PubChem (CID 54728584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).