(2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C28H23NO6 — CID 99999441

About (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99999441) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 99999441
• Molecular Formula: C28H23NO6
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.15
• IUPAC Name: (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O
• InChI: InChI=1S/C28H23NO6/c1-16(2)15-33-27-18(7-4-8-22(27)32-3)20-13-24(30)34-21-10-9-19-26(31)23(35-28(19)25(20)21)12-17-6-5-11-29-14-17/h4-12,14,20H,1,13,15H2,2-3H3/b23-12-/t20-/m1/s1
• InChIKey: GAFPEUNPQRYZDG-BRTCBXNNSA-N
• XLogP: 5.10
• TPSA: 83.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99999441) is (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O.

What is the InChIKey of (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is GAFPEUNPQRYZDG-BRTCBXNNSA-N. The full InChI is InChI=1S/C28H23NO6/c1-16(2)15-33-27-18(7-4-8-22(27)32-3)20-13-24(30)34-21-10-9-19-26(31)23(35-28(19)25(20)21)12-17-6-5-11-29-14-17/h4-12,14,20H,1,13,15H2,2-3H3/b23-12-/t20-/m1/s1.

What are the key properties of (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 469.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99999441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).