(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C36H32O9 — CID 102564942

About (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 102564942) has the molecular formula C36H32O9 and a molecular weight of 608.64 g/mol. Its IUPAC name is (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 102564942
• Molecular Formula: C36H32O9
• Molecular Weight: 608.64 g/mol
• Exact Mass: 608.20
• IUPAC Name: (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1ccc(CCOc2c(OC)cccc2C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccc(OC)c2OC)C4=O)cc1
• InChI: InChI=1S/C36H32O9/c1-39-23-13-11-21(12-14-23)17-18-43-35-24(8-6-10-29(35)41-3)26-20-31(37)44-27-16-15-25-33(38)30(45-36(25)32(26)27)19-22-7-5-9-28(40-2)34(22)42-4/h5-16,19,26H,17-18,20H2,1-4H3/b30-19-
• InChIKey: BYSCBPAAVWUCCU-FSGOGVSDSA-N
• XLogP: 6.40
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.64
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 102564942) is (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(CCOc2c(OC)cccc2C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccc(OC)c2OC)C4=O)cc1.

What is the InChIKey of (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is BYSCBPAAVWUCCU-FSGOGVSDSA-N. The full InChI is InChI=1S/C36H32O9/c1-39-23-13-11-21(12-14-23)17-18-43-35-24(8-6-10-29(35)41-3)26-20-31(37)44-27-16-15-25-33(38)30(45-36(25)32(26)27)19-22-7-5-9-28(40-2)34(22)42-4/h5-16,19,26H,17-18,20H2,1-4H3/b30-19-.

What are the key properties of (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 608.64 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 102564942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).