3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one

C23H14Cl2O3 — CID 68541267

IUPAC3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
SMILESO=C1OC(=Cc2ccc(-c3ccc(Cl)cc3)cc2)C(O)=C1c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl2O3/c24-18-9-5-16(6-10-18)15-3-1-14(2-4-15)13-20-22(26)21(23(27)28-20)17-7-11-19(25)12-8-17/h1-13,26H
InChIKeyHFOPTRAHASTPHN-UHFFFAOYSA-N
MW409.27 g/mol
LogP6.53
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one

3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one (PubChem CID 68541267) has the molecular formula C23H14Cl2O3 and a molecular weight of 409.27 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
PubChem CID68541267
Molecular FormulaC23H14Cl2O3
Molecular Weight409.27 g/mol
Exact Mass408.03
IUPAC Name3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one
SMILESO=C1OC(=Cc2ccc(-c3ccc(Cl)cc3)cc2)C(O)=C1c1ccc(Cl)cc1
InChIInChI=1S/C23H14Cl2O3/c24-18-9-5-16(6-10-18)15-3-1-14(2-4-15)13-20-22(26)21(23(27)28-20)17-7-11-19(25)12-8-17/h1-13,26H
InChIKeyHFOPTRAHASTPHN-UHFFFAOYSA-N
XLogP6.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
The IUPAC name of 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one (CID 68541267) is 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one is O=C1OC(=Cc2ccc(-c3ccc(Cl)cc3)cc2)C(O)=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
The InChIKey is HFOPTRAHASTPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2O3/c24-18-9-5-16(6-10-18)15-3-1-14(2-4-15)13-20-22(26)21(23(27)28-20)17-7-11-19(25)12-8-17/h1-13,26H.
What are the key properties of 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one?
3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one has a molecular weight of 409.27 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[4-(4-chlorophenyl)phenyl]methylidene]-4-hydroxyfuran-2-one is sourced from PubChem (CID 68541267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).