2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C26H20O9 — CID 71827011

About 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71827011) has the molecular formula C26H20O9 and a molecular weight of 476.44 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 71827011
• Molecular Formula: C26H20O9
• Molecular Weight: 476.44 g/mol
• Exact Mass: 476.11
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1cccc(C2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c1OC
• InChI: InChI=1S/C26H20O9/c1-32-19-5-3-4-13(25(19)33-2)14-9-22(31)34-21-11-18(30)24-17(29)10-20(35-26(24)23(14)21)12-6-7-15(27)16(28)8-12/h3-8,10-11,14,27-28,30H,9H2,1-2H3
• InChIKey: BEBKDZODXNFLFY-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 135.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.44
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71827011) is 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1cccc(C2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c1OC.

What is the InChIKey of 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is BEBKDZODXNFLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O9/c1-32-19-5-3-4-13(25(19)33-2)14-9-22(31)34-21-11-18(30)24-17(29)10-20(35-26(24)23(14)21)12-6-7-15(27)16(28)8-12/h3-8,10-11,14,27-28,30H,9H2,1-2H3.

What are the key properties of 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 476.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71827011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).