(10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C28H20O7 — CID 97045927

About (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97045927) has the molecular formula C28H20O7 and a molecular weight of 468.46 g/mol. Its IUPAC name is (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97045927
• Molecular Formula: C28H20O7
• Molecular Weight: 468.46 g/mol
• Exact Mass: 468.12
• IUPAC Name: (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4C2=Cc3ccccc3OC2)cc1
• InChI: InChI=1S/C28H20O7/c1-32-18-8-6-15(7-9-18)20-14-34-28-25-19(17-10-16-4-2-3-5-22(16)33-13-17)11-24(30)35-23(25)12-21(29)26(28)27(20)31/h2-10,12,14,19,29H,11,13H2,1H3/t19-/m1/s1
• InChIKey: SMEQCSGJQPVTTH-LJQANCHMSA-N
• XLogP: 5.04
• TPSA: 95.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.46
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97045927) is (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4C2=Cc3ccccc3OC2)cc1.

What is the InChIKey of (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is SMEQCSGJQPVTTH-LJQANCHMSA-N. The full InChI is InChI=1S/C28H20O7/c1-32-18-8-6-15(7-9-18)20-14-34-28-25-19(17-10-16-4-2-3-5-22(16)33-13-17)11-24(30)35-23(25)12-21(29)26(28)27(20)31/h2-10,12,14,19,29H,11,13H2,1H3/t19-/m1/s1.

What are the key properties of (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 468.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-10-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97045927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).