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

C35H28O8 — CID 125430730

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

(10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125430730) has the molecular formula C35H28O8 and a molecular weight of 576.60 g/mol. Its IUPAC name is (10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 125430730
• Molecular Formula: C35H28O8
• Molecular Weight: 576.60 g/mol
• Exact Mass: 576.18
• IUPAC Name: (10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccccc5)coc4c32)cc1OCCc1ccc2c(c1)CCO2
• InChI: InChI=1S/C35H28O8/c1-39-28-10-8-22(16-29(28)41-13-11-20-7-9-27-23(15-20)12-14-40-27)24-17-31(37)43-30-18-26(36)33-34(38)25(19-42-35(33)32(24)30)21-5-3-2-4-6-21/h2-10,15-16,18-19,24,36H,11-14,17H2,1H3/t24-/m1/s1
• InChIKey: YEMFGGFURHFNPF-XMMPIXPASA-N
• XLogP: 6.17
• TPSA: 104.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.60
LogP ≤ 5	6.17
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)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125430730) is (10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for (10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccccc5)coc4c32)cc1OCCc1ccc2c(c1)CCO2.

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

The InChIKey is YEMFGGFURHFNPF-XMMPIXPASA-N. The full InChI is InChI=1S/C35H28O8/c1-39-28-10-8-22(16-29(28)41-13-11-20-7-9-27-23(15-20)12-14-40-27)24-17-31(37)43-30-18-26(36)33-34(38)25(19-42-35(33)32(24)30)21-5-3-2-4-6-21/h2-10,15-16,18-19,24,36H,11-14,17H2,1H3/t24-/m1/s1.

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

(10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 576.60 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-10-[3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl]-5-hydroxy-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125430730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).