(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C27H16O6 — CID 124879681

About (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 124879681) has the molecular formula C27H16O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• PubChem CID: 124879681
• Molecular Formula: C27H16O6
• Molecular Weight: 436.42 g/mol
• Exact Mass: 436.09
• IUPAC Name: (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• SMILES: O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(ccc3c(=O)c(-c4ccccc4)coc23)O1
• InChI: InChI=1S/C27H16O6/c28-23-12-18(20-14-31-21-9-5-4-8-16(21)25(20)29)24-22(33-23)11-10-17-26(30)19(13-32-27(17)24)15-6-2-1-3-7-15/h1-11,13-14,18H,12H2/t18-/m0/s1
• InChIKey: VIXXNXJRKPPERI-SFHVURJKSA-N
• XLogP: 5.01
• TPSA: 86.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.42
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The IUPAC name of (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 124879681) is (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

What is the SMILES notation for (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The canonical SMILES for (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is O=C1C[C@@H](c2coc3ccccc3c2=O)c2c(ccc3c(=O)c(-c4ccccc4)coc23)O1.

What is the InChIKey of (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The InChIKey is VIXXNXJRKPPERI-SFHVURJKSA-N. The full InChI is InChI=1S/C27H16O6/c28-23-12-18(20-14-31-21-9-5-4-8-16(21)25(20)29)24-22(33-23)11-10-17-26(30)19(13-32-27(17)24)15-6-2-1-3-7-15/h1-11,13-14,18H,12H2/t18-/m0/s1.

What are the key properties of (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 436.42 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 124879681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).