2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one

C66H40Cl6F2O9 — CID 161454861

About 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one

2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one (PubChem CID 161454861) has the molecular formula C66H40Cl6F2O9 and a molecular weight of 1227.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one
• PubChem CID: 161454861
• Molecular Formula: C66H40Cl6F2O9
• Molecular Weight: 1227.75 g/mol
• Exact Mass: 1224.08
• IUPAC Name: 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one
• SMILES: O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(c2ccc(Cl)c(Cl)c2)Oc2ccc(O)cc21.O=C1C(=Cc2ccc(Cl)cc2)C(c2ccc(Cl)cc2)Oc2ccc(O)cc21.O=C1C(=Cc2ccc(F)cc2)C(c2ccc(F)cc2)Oc2ccc(O)cc21
• InChI: InChI=1S/C22H12Cl4O3.C22H14Cl2O3.C22H14F2O3/c23-16-4-1-11(8-18(16)25)7-15-21(28)14-10-13(27)3-6-20(14)29-22(15)12-2-5-17(24)19(26)9-12;2*23-15-5-1-13(2-6-15)11-19-21(26)18-12-17(25)9-10-20(18)27-22(19)14-3-7-16(24)8-4-14/h1-10,22,27H;2*1-12,22,25H
• InChIKey: WBADKMLOQVKUSC-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 139.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1227.75
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one?

The IUPAC name of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one (CID 161454861) is 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one.

What is the SMILES notation for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one?

The canonical SMILES for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one is O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(c2ccc(Cl)c(Cl)c2)Oc2ccc(O)cc21.O=C1C(=Cc2ccc(Cl)cc2)C(c2ccc(Cl)cc2)Oc2ccc(O)cc21.O=C1C(=Cc2ccc(F)cc2)C(c2ccc(F)cc2)Oc2ccc(O)cc21.

What is the InChIKey of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one?

The InChIKey is WBADKMLOQVKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl4O3.C22H14Cl2O3.C22H14F2O3/c23-16-4-1-11(8-18(16)25)7-15-21(28)14-10-13(27)3-6-20(14)29-22(15)12-2-5-17(24)19(26)9-12;2*23-15-5-1-13(2-6-15)11-19-21(26)18-12-17(25)9-10-20(18)27-22(19)14-3-7-16(24)8-4-14/h1-10,22,27H;2*1-12,22,25H.

What are the key properties of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one?

2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one has a molecular weight of 1227.75 g/mol, XLogP of 18.58, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one;2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one is sourced from PubChem (CID 161454861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).