2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one

C20H12Cl2O2 — CID 4185963

IUPAC2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one
SMILESO=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)Cc2ccccc21
InChIInChI=1S/C20H12Cl2O2/c21-14-5-7-18(22)17(11-14)19-8-6-15(24-19)10-13-9-12-3-1-2-4-16(12)20(13)23/h1-8,10-11H,9H2
InChIKeyOLEUEMKUBDJOST-UHFFFAOYSA-N
MW355.22 g/mol
LogP6.08
Rot. Bonds2

About 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one

2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one (PubChem CID 4185963) has the molecular formula C20H12Cl2O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one
PubChem CID4185963
Molecular FormulaC20H12Cl2O2
Molecular Weight355.22 g/mol
Exact Mass354.02
IUPAC Name2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one
SMILESO=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)Cc2ccccc21
InChIInChI=1S/C20H12Cl2O2/c21-14-5-7-18(22)17(11-14)19-8-6-15(24-19)10-13-9-12-3-1-2-4-16(12)20(13)23/h1-8,10-11H,9H2
InChIKeyOLEUEMKUBDJOST-UHFFFAOYSA-N
XLogP6.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one?
The IUPAC name of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one (CID 4185963) is 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one.
What is the SMILES notation for 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one?
The canonical SMILES for 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one is O=C1C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)Cc2ccccc21.
What is the InChIKey of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one?
The InChIKey is OLEUEMKUBDJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O2/c21-14-5-7-18(22)17(11-14)19-8-6-15(24-19)10-13-9-12-3-1-2-4-16(12)20(13)23/h1-8,10-11H,9H2.
What are the key properties of 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one?
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one has a molecular weight of 355.22 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one is sourced from PubChem (CID 4185963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).