(4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

C28H24O7 — CID 124875933

About (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

(4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 124875933) has the molecular formula C28H24O7 and a molecular weight of 472.49 g/mol. Its IUPAC name is (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

• Compound Name: (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
• PubChem CID: 124875933
• Molecular Formula: C28H24O7
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.15
• IUPAC Name: (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
• SMILES: COc1cc(OC)c([C@H]2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1OC
• InChI: InChI=1S/C28H24O7/c1-15-10-23-27(17(12-24(29)34-23)16-8-6-5-7-9-16)28-26(15)19(13-25(30)35-28)18-11-21(32-3)22(33-4)14-20(18)31-2/h5-12,14,19H,13H2,1-4H3/t19-/m1/s1
• InChIKey: DORBHVOYVJSGDN-LJQANCHMSA-N
• XLogP: 5.24
• TPSA: 84.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	5.24
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 (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

The IUPAC name of (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (CID 124875933) is (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

What is the SMILES notation for (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

The canonical SMILES for (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is COc1cc(OC)c([C@H]2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1OC.

What is the InChIKey of (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

The InChIKey is DORBHVOYVJSGDN-LJQANCHMSA-N. The full InChI is InChI=1S/C28H24O7/c1-15-10-23-27(17(12-24(29)34-23)16-8-6-5-7-9-16)28-26(15)19(13-25(30)35-28)18-11-21(32-3)22(33-4)14-20(18)31-2/h5-12,14,19H,13H2,1-4H3/t19-/m1/s1.

What are the key properties of (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?

(4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 472.49 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 124875933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).