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

C28H24O10 — CID 91636912

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

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 91636912) has the molecular formula C28H24O10 and a molecular weight of 520.49 g/mol. Its IUPAC name is 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 91636912
• Molecular Formula: C28H24O10
• Molecular Weight: 520.49 g/mol
• Exact Mass: 520.14
• IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(c2cc(OC)c(OC)cc2OC)CC(=O)O4)cc1O
• InChI: InChI=1S/C28H24O10/c1-33-19-6-5-13(7-16(19)29)20-10-17(30)27-18(31)11-24-26(28(27)38-20)15(9-25(32)37-24)14-8-22(35-3)23(36-4)12-21(14)34-2/h5-8,10-12,15,29,31H,9H2,1-4H3
• InChIKey: LHIDUTOWRRLPAK-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 133.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.49
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 91636912) is 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(c2cc(OC)c(OC)cc2OC)CC(=O)O4)cc1O.

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

The InChIKey is LHIDUTOWRRLPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O10/c1-33-19-6-5-13(7-16(19)29)20-10-17(30)27-18(31)11-24-26(28(27)38-20)15(9-25(32)37-24)14-8-22(35-3)23(36-4)12-21(14)34-2/h5-8,10-12,15,29,31H,9H2,1-4H3.

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

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 520.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 91636912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).