(10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C26H20O8 — CID 97489165

About (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97489165) has the molecular formula C26H20O8 and a molecular weight of 460.44 g/mol. Its IUPAC name is (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97489165
• Molecular Formula: C26H20O8
• Molecular Weight: 460.44 g/mol
• Exact Mass: 460.12
• IUPAC Name: (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: Cc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1C
• InChI: InChI=1S/C26H20O8/c1-11-3-4-13(7-12(11)2)15-9-20(30)33-19-10-18(29)22-23(31)24(32)25(34-26(22)21(15)19)14-5-6-16(27)17(28)8-14/h3-8,10,15,27-29,32H,9H2,1-2H3/t15-/m1/s1
• InChIKey: KZMJIFPFKIZZNL-OAHLLOKOSA-N
• XLogP: 4.34
• TPSA: 137.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.44
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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 (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97489165) is (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is Cc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1C.

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

The InChIKey is KZMJIFPFKIZZNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H20O8/c1-11-3-4-13(7-12(11)2)15-9-20(30)33-19-10-18(29)22-23(31)24(32)25(34-26(22)21(15)19)14-5-6-16(27)17(28)8-14/h3-8,10,15,27-29,32H,9H2,1-2H3/t15-/m1/s1.

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

(10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 460.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-2-(3,4-dihydroxyphenyl)-10-(3,4-dimethylphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97489165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).