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

C27H22O9 — CID 99985008

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

(10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 99985008) has the molecular formula C27H22O9 and a molecular weight of 490.46 g/mol. Its IUPAC name is (10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 99985008
• Molecular Formula: C27H22O9
• Molecular Weight: 490.46 g/mol
• Exact Mass: 490.13
• IUPAC Name: (10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cccc(OC)c2OC)CC(=O)O4)cc1O
• InChI: InChI=1S/C27H22O9/c1-32-19-8-7-13(9-16(19)28)21-11-17(29)25-18(30)12-22-24(27(25)36-21)15(10-23(31)35-22)14-5-4-6-20(33-2)26(14)34-3/h4-9,11-12,15,28,30H,10H2,1-3H3/t15-/m1/s1
• InChIKey: QLCXHKOSWKMQBP-OAHLLOKOSA-N
• XLogP: 4.34
• TPSA: 124.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.46
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 99985008) is (10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for (10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2cccc(OC)c2OC)CC(=O)O4)cc1O.

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

The InChIKey is QLCXHKOSWKMQBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C27H22O9/c1-32-19-8-7-13(9-16(19)28)21-11-17(29)25-18(30)12-22-24(27(25)36-21)15(10-23(31)35-22)14-5-4-6-20(33-2)26(14)34-3/h4-9,11-12,15,28,30H,10H2,1-3H3/t15-/m1/s1.

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

(10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 490.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 99985008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).