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

C32H25NO7 — CID 126418919

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

(10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (PubChem CID 126418919) has the molecular formula C32H25NO7 and a molecular weight of 535.55 g/mol. Its IUPAC name is (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• PubChem CID: 126418919
• Molecular Formula: C32H25NO7
• Molecular Weight: 535.55 g/mol
• Exact Mass: 535.16
• IUPAC Name: (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(ccc3c2=O)OC(=O)C[C@H]4c2ccccc2OCc2ccccn2)cc1OC
• InChI: InChI=1S/C32H25NO7/c1-36-26-12-10-19(15-28(26)37-2)24-18-39-32-22(31(24)35)11-13-27-30(32)23(16-29(34)40-27)21-8-3-4-9-25(21)38-17-20-7-5-6-14-33-20/h3-15,18,23H,16-17H2,1-2H3/t23-/m0/s1
• InChIKey: KYMSOJRFRUHAIG-QHCPKHFHSA-N
• XLogP: 5.89
• TPSA: 97.09 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.55
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
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 (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione?

The IUPAC name of (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione (CID 126418919) is (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione.

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

The canonical SMILES for (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is COc1ccc(-c2coc3c4c(ccc3c2=O)OC(=O)C[C@H]4c2ccccc2OCc2ccccn2)cc1OC.

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

The InChIKey is KYMSOJRFRUHAIG-QHCPKHFHSA-N. The full InChI is InChI=1S/C32H25NO7/c1-36-26-12-10-19(15-28(26)37-2)24-18-39-32-22(31(24)35)11-13-27-30(32)23(16-29(34)40-27)21-8-3-4-9-25(21)38-17-20-7-5-6-14-33-20/h3-15,18,23H,16-17H2,1-2H3/t23-/m0/s1.

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

(10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione has a molecular weight of 535.55 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-3-(3,4-dimethoxyphenyl)-10-[2-(pyridin-2-ylmethoxy)phenyl]-9,10-dihydropyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 126418919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).