(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C29H20O6 — CID 97045925

About (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97045925) has the molecular formula C29H20O6 and a molecular weight of 464.47 g/mol. Its IUPAC name is (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 97045925
• Molecular Formula: C29H20O6
• Molecular Weight: 464.47 g/mol
• Exact Mass: 464.13
• IUPAC Name: (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cccc3ccccc23)cc1
• InChI: InChI=1S/C29H20O6/c1-33-18-11-9-17(10-12-18)22-15-34-29-26-21(20-8-4-6-16-5-2-3-7-19(16)20)13-25(31)35-24(26)14-23(30)27(29)28(22)32/h2-12,14-15,21,30H,13H2,1H3/t21-/m1/s1
• InChIKey: LMBALRLGSQCFTD-OAQYLSRUSA-N
• XLogP: 5.77
• TPSA: 85.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.47
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97045925) is (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)C[C@@H]4c2cccc3ccccc23)cc1.

What is the InChIKey of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is LMBALRLGSQCFTD-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H20O6/c1-33-18-11-9-17(10-12-18)22-15-34-29-26-21(20-8-4-6-16-5-2-3-7-19(16)20)13-25(31)35-24(26)14-23(30)27(29)28(22)32/h2-12,14-15,21,30H,13H2,1H3/t21-/m1/s1.

What are the key properties of (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 464.47 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97045925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).