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

C34H28O7 — CID 124879736

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

(2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 124879736) has the molecular formula C34H28O7 and a molecular weight of 548.59 g/mol. Its IUPAC name is (2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 124879736
• Molecular Formula: C34H28O7
• Molecular Weight: 548.59 g/mol
• Exact Mass: 548.18
• IUPAC Name: (2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1ccc(CCOc2cc([C@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccccc3)C5=O)ccc2OC)cc1
• InChI: InChI=1S/C34H28O7/c1-37-24-11-8-21(9-12-24)16-17-39-29-19-23(10-14-27(29)38-2)26-20-31(35)40-28-15-13-25-33(36)30(41-34(25)32(26)28)18-22-6-4-3-5-7-22/h3-15,18-19,26H,16-17,20H2,1-2H3/b30-18-/t26-/m1/s1
• InChIKey: VUAXCCYKYKEFEF-XQFNZYGSSA-N
• XLogP: 6.38
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.59
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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

The IUPAC name of (2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 124879736) is (2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

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

The canonical SMILES for (2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(CCOc2cc([C@H]3CC(=O)Oc4ccc5c(c43)O/C(=C\c3ccccc3)C5=O)ccc2OC)cc1.

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

The InChIKey is VUAXCCYKYKEFEF-XQFNZYGSSA-N. The full InChI is InChI=1S/C34H28O7/c1-37-24-11-8-21(9-12-24)16-17-39-29-19-23(10-14-27(29)38-2)26-20-31(35)40-28-15-13-25-33(36)30(41-34(25)32(26)28)18-22-6-4-3-5-7-22/h3-15,18-19,26H,16-17,20H2,1-2H3/b30-18-/t26-/m1/s1.

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

(2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 548.59 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9R)-2-benzylidene-9-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 124879736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).