(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C28H20O9 — CID 110206492

About (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 110206492) has the molecular formula C28H20O9 and a molecular weight of 500.46 g/mol. Its IUPAC name is (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 110206492
• Molecular Formula: C28H20O9
• Molecular Weight: 500.46 g/mol
• Exact Mass: 500.11
• IUPAC Name: (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1cc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc3c(c2)OCCO3)C4=O)cc2c1OCO2
• InChI: InChI=1S/C28H20O9/c1-31-22-10-15(11-23-28(22)35-13-34-23)17-12-24(29)36-19-5-3-16-26(30)21(37-27(16)25(17)19)9-14-2-4-18-20(8-14)33-7-6-32-18/h2-5,8-11,17H,6-7,12-13H2,1H3/b21-9-
• InChIKey: UHQQSVJSAYYPSJ-NKVSQWTQSA-N
• XLogP: 4.25
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.46
LogP ≤ 5	4.25
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-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 110206492) is (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1cc(C2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc3c(c2)OCCO3)C4=O)cc2c1OCO2.

What is the InChIKey of (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is UHQQSVJSAYYPSJ-NKVSQWTQSA-N. The full InChI is InChI=1S/C28H20O9/c1-31-22-10-15(11-23-28(22)35-13-34-23)17-12-24(29)36-19-5-3-16-26(30)21(37-27(16)25(17)19)9-14-2-4-18-20(8-14)33-7-6-32-18/h2-5,8-11,17H,6-7,12-13H2,1H3/b21-9-.

What are the key properties of (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 500.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 110206492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).