(2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C32H30O9 — CID 125428555

About (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 125428555) has the molecular formula C32H30O9 and a molecular weight of 558.58 g/mol. Its IUPAC name is (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 125428555
• Molecular Formula: C32H30O9
• Molecular Weight: 558.58 g/mol
• Exact Mass: 558.19
• IUPAC Name: (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-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\c1cc(OC)c(OC)cc1OC)C3=O
• InChI: InChI=1S/C32H30O9/c1-17(2)16-39-31-19(8-7-9-23(31)35-3)21-14-28(33)40-22-11-10-20-30(34)27(41-32(20)29(21)22)13-18-12-25(37-5)26(38-6)15-24(18)36-4/h7-13,15,21H,1,14,16H2,2-6H3/b27-13-/t21-/m0/s1
• InChIKey: OZNLHFCAUFMBSU-DGBIYHDASA-N
• XLogP: 5.73
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.58
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 125428555) is (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-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\c1cc(OC)c(OC)cc1OC)C3=O.

What is the InChIKey of (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is OZNLHFCAUFMBSU-DGBIYHDASA-N. The full InChI is InChI=1S/C32H30O9/c1-17(2)16-39-31-19(8-7-9-23(31)35-3)21-14-28(33)40-22-11-10-20-30(34)27(41-32(20)29(21)22)13-18-12-25(37-5)26(38-6)15-24(18)36-4/h7-13,15,21H,1,14,16H2,2-6H3/b27-13-/t21-/m0/s1.

What are the key properties of (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 558.58 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9S)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-[(2,4,5-trimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 125428555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).