2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C33H26O6 — CID 162945458

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

2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 162945458) has the molecular formula C33H26O6 and a molecular weight of 518.57 g/mol. Its IUPAC name is 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 162945458
• Molecular Formula: C33H26O6
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.17
• IUPAC Name: 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1ccc(CCOc2ccccc2C2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2)C4=O)cc1
• InChI: InChI=1S/C33H26O6/c1-36-23-13-11-21(12-14-23)17-18-37-27-10-6-5-9-24(27)26-20-30(34)38-28-16-15-25-32(35)29(39-33(25)31(26)28)19-22-7-3-2-4-8-22/h2-16,19,26H,17-18,20H2,1H3
• InChIKey: RCKVHVSVSXHFLH-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 162945458) is 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

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

The canonical SMILES for 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(CCOc2ccccc2C2CC(=O)Oc3ccc4c(c32)OC(=Cc2ccccc2)C4=O)cc1.

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

The InChIKey is RCKVHVSVSXHFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O6/c1-36-23-13-11-21(12-14-23)17-18-37-27-10-6-5-9-24(27)26-20-30(34)38-28-16-15-25-32(35)29(39-33(25)31(26)28)19-22-7-3-2-4-8-22/h2-16,19,26H,17-18,20H2,1H3.

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

2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 518.57 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzylidene-9-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 162945458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).