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

C35H30O8 — CID 99993684

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

(2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99993684) has the molecular formula C35H30O8 and a molecular weight of 578.62 g/mol. Its IUPAC name is (2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 99993684
• Molecular Formula: C35H30O8
• Molecular Weight: 578.62 g/mol
• Exact Mass: 578.19
• IUPAC Name: (2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OC)c3OCCc3ccc(OC)cc3)CC(=O)O4)C2=O)cc1
• InChI: InChI=1S/C35H30O8/c1-38-23-11-7-21(8-12-23)17-18-41-34-25(5-4-6-29(34)40-3)27-20-31(36)42-28-16-15-26-33(37)30(43-35(26)32(27)28)19-22-9-13-24(39-2)14-10-22/h4-16,19,27H,17-18,20H2,1-3H3/b30-19-/t27-/m1/s1
• InChIKey: RYQDEFPSGSLRKS-LJAKKAIASA-N
• XLogP: 6.39
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.62
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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

The IUPAC name of (2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99993684) is (2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

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

The canonical SMILES for (2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(OC)c3OCCc3ccc(OC)cc3)CC(=O)O4)C2=O)cc1.

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

The InChIKey is RYQDEFPSGSLRKS-LJAKKAIASA-N. The full InChI is InChI=1S/C35H30O8/c1-38-23-11-7-21(8-12-23)17-18-41-34-25(5-4-6-29(34)40-3)27-20-31(36)42-28-16-15-26-33(37)30(43-35(26)32(27)28)19-22-9-13-24(39-2)14-10-22/h4-16,19,27H,17-18,20H2,1-3H3/b30-19-/t27-/m1/s1.

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

(2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 578.62 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9R)-9-[3-methoxy-2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99993684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).