(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

C29H26O9 — CID 125122047

About (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione

(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 125122047) has the molecular formula C29H26O9 and a molecular weight of 518.52 g/mol. Its IUPAC name is (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• PubChem CID: 125122047
• Molecular Formula: C29H26O9
• Molecular Weight: 518.52 g/mol
• Exact Mass: 518.16
• IUPAC Name: (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(ccc3c2=O)OC(=O)C[C@H]4c2ccc(OC)c(OC)c2OC)cc1OC
• InChI: InChI=1S/C29H26O9/c1-32-20-9-6-15(12-23(20)34-3)19-14-37-27-17(26(19)31)8-10-21-25(27)18(13-24(30)38-21)16-7-11-22(33-2)29(36-5)28(16)35-4/h6-12,14,18H,13H2,1-5H3/t18-/m0/s1
• InChIKey: CGILUMUIOPIBJP-SFHVURJKSA-N
• XLogP: 4.94
• TPSA: 102.66 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.52
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	0
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 (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The IUPAC name of (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 125122047) is (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

What is the SMILES notation for (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The canonical SMILES for (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is COc1ccc(-c2coc3c4c(ccc3c2=O)OC(=O)C[C@H]4c2ccc(OC)c(OC)c2OC)cc1OC.

What is the InChIKey of (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The InChIKey is CGILUMUIOPIBJP-SFHVURJKSA-N. The full InChI is InChI=1S/C29H26O9/c1-32-20-9-6-15(12-23(20)34-3)19-14-37-27-17(26(19)31)8-10-21-25(27)18(13-24(30)38-21)16-7-11-22(33-2)29(36-5)28(16)35-4/h6-12,14,18H,13H2,1-5H3/t18-/m0/s1.

What are the key properties of (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

(10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 518.52 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-3-(3,4-dimethoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 125122047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).