2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one

C₂₀H₁₉NO₄ — CID 166522312

About 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one

2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one (PubChem CID 166522312) has the molecular formula C₂₀H₁₉NO₄ and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one.

Molecular Properties

• Compound Name: 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one
• PubChem CID: 166522312
• Molecular Formula: C₂₀H₁₉NO₄
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.13
• IUPAC Name: 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one
• SMILES: COc1cccc(C(=O)C2=C(c3ccccc3)C(=O)OC2N(C)C)c1
• InChI: InChI=1S/C20H19NO4/c1-21(2)19-17(18(22)14-10-7-11-15(12-14)24-3)16(20(23)25-19)13-8-5-4-6-9-13/h4-12,19H,1-3H3
• InChIKey: RJRPVQIMYDLYIL-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 55.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?

The IUPAC name of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one (CID 166522312) is 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one.

What is the SMILES notation for 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?

The canonical SMILES for 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one is COc1cccc(C(=O)C2=C(c3ccccc3)C(=O)OC2N(C)C)c1.

What is the InChIKey of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?

The InChIKey is RJRPVQIMYDLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-21(2)19-17(18(22)14-10-7-11-15(12-14)24-3)16(20(23)25-19)13-8-5-4-6-9-13/h4-12,19H,1-3H3.

What are the key properties of 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one?

2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one has a molecular weight of 337.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-3-(3-methoxybenzoyl)-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 166522312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166522312 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.