(2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one

C21H14Cl2O2 — CID 7946893

About (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one

(2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one (PubChem CID 7946893) has the molecular formula C21H14Cl2O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one.

Molecular Properties

• Compound Name: (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one
• PubChem CID: 7946893
• Molecular Formula: C21H14Cl2O2
• Molecular Weight: 369.25 g/mol
• Exact Mass: 368.04
• IUPAC Name: (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one
• SMILES: O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)CCc2ccccc21
• InChI: InChI=1S/C21H14Cl2O2/c22-18-7-3-6-17(20(18)23)19-11-10-15(25-19)12-14-9-8-13-4-1-2-5-16(13)21(14)24/h1-7,10-12H,8-9H2/b14-12+
• InChIKey: PZQYANARSLADEW-WYMLVPIESA-N
• XLogP: 6.47
• TPSA: 30.21 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.25
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one?

The IUPAC name of (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one (CID 7946893) is (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one.

What is the SMILES notation for (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one?

The canonical SMILES for (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one is O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)CCc2ccccc21.

What is the InChIKey of (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one?

The InChIKey is PZQYANARSLADEW-WYMLVPIESA-N. The full InChI is InChI=1S/C21H14Cl2O2/c22-18-7-3-6-17(20(18)23)19-11-10-15(25-19)12-14-9-8-13-4-1-2-5-16(13)21(14)24/h1-7,10-12H,8-9H2/b14-12+.

What are the key properties of (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one?

(2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one has a molecular weight of 369.25 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 7946893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).