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

C30H28O8 — CID 125123298

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

(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125123298) has the molecular formula C30H28O8 and a molecular weight of 516.55 g/mol. Its IUPAC name is (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 125123298
• Molecular Formula: C30H28O8
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.18
• IUPAC Name: (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc(OCC(C)C)cc2)cc1OC
• InChI: InChI=1S/C30H28O8/c1-16(2)14-36-19-8-5-17(6-9-19)20-12-26(32)38-25-13-22(31)28-29(33)21(15-37-30(28)27(20)25)18-7-10-23(34-3)24(11-18)35-4/h5-11,13,15-16,20,31H,12,14H2,1-4H3/t20-/m1/s1
• InChIKey: YGSBIOIDYATHHJ-HXUWFJFHSA-N
• XLogP: 5.66
• TPSA: 104.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125123298) is (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2ccc(OCC(C)C)cc2)cc1OC.

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

The InChIKey is YGSBIOIDYATHHJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H28O8/c1-16(2)14-36-19-8-5-17(6-9-19)20-12-26(32)38-25-13-22(31)28-29(33)21(15-37-30(28)27(20)25)18-7-10-23(34-3)24(11-18)35-4/h5-11,13,15-16,20,31H,12,14H2,1-4H3/t20-/m1/s1.

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

(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 516.55 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-[4-(2-methylpropoxy)phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125123298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).