4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

C28H22O7 — CID 110206398

About 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 110206398) has the molecular formula C28H22O7 and a molecular weight of 470.48 g/mol. Its IUPAC name is 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

• Compound Name: 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
• PubChem CID: 110206398
• Molecular Formula: C28H22O7
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.14
• IUPAC Name: 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
• SMILES: COc1cc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc2c1OCCO2
• InChI: InChI=1S/C28H22O7/c1-15-10-20-26(18(13-23(29)34-20)16-6-4-3-5-7-16)28-25(15)19(14-24(30)35-28)17-11-21(31-2)27-22(12-17)32-8-9-33-27/h3-7,10-13,19H,8-9,14H2,1-2H3
• InChIKey: USHWMRDYNNCMLS-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 84.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

The IUPAC name of 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (CID 110206398) is 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

What is the SMILES notation for 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

The canonical SMILES for 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is COc1cc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc2c1OCCO2.

What is the InChIKey of 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

The InChIKey is USHWMRDYNNCMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O7/c1-15-10-20-26(18(13-23(29)34-20)16-6-4-3-5-7-16)28-25(15)19(14-24(30)35-28)17-11-21(31-2)27-22(12-17)32-8-9-33-27/h3-7,10-13,19H,8-9,14H2,1-2H3.

What are the key properties of 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 470.48 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 110206398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).