(E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one

C24H16Cl2O3 — CID 19561222

About (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 19561222) has the molecular formula C24H16Cl2O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
• PubChem CID: 19561222
• Molecular Formula: C24H16Cl2O3
• Molecular Weight: 423.30 g/mol
• Exact Mass: 422.05
• IUPAC Name: (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one
• SMILES: O=C(/C=C/c1ccc(COc2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1
• InChI: InChI=1S/C24H16Cl2O3/c25-21-6-3-7-23(24(21)26)28-15-20-11-10-19(29-20)12-13-22(27)18-9-8-16-4-1-2-5-17(16)14-18/h1-14H,15H2/b13-12+
• InChIKey: BMDGPMGBPNIWOE-OUKQBFOZSA-N
• XLogP: 7.21
• TPSA: 39.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.30
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?

The IUPAC name of (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one (CID 19561222) is (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one.

What is the SMILES notation for (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?

The canonical SMILES for (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(COc2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1.

What is the InChIKey of (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?

The InChIKey is BMDGPMGBPNIWOE-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H16Cl2O3/c25-21-6-3-7-23(24(21)26)28-15-20-11-10-19(29-20)12-13-22(27)18-9-8-16-4-1-2-5-17(16)14-18/h1-14H,15H2/b13-12+.

What are the key properties of (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one?

(E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 423.30 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 19561222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).