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

C30H26O7 — CID 99991445

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

(2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99991445) has the molecular formula C30H26O7 and a molecular weight of 498.53 g/mol. Its IUPAC name is (2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 99991445
• Molecular Formula: C30H26O7
• Molecular Weight: 498.53 g/mol
• Exact Mass: 498.17
• IUPAC Name: (2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: C=C(C)COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)cc2)C4=O)cc1OC
• InChI: InChI=1S/C30H26O7/c1-17(2)16-35-23-11-7-19(14-25(23)34-4)22-15-27(31)36-24-12-10-21-29(32)26(37-30(21)28(22)24)13-18-5-8-20(33-3)9-6-18/h5-14,22H,1,15-16H2,2-4H3/b26-13-/t22-/m0/s1
• InChIKey: ARHPMVWHWIJASG-XGFHMTJNSA-N
• XLogP: 5.72
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.53
LogP ≤ 5	5.72
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,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99991445) is (2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

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

The canonical SMILES for (2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is C=C(C)COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccc(OC)cc2)C4=O)cc1OC.

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

The InChIKey is ARHPMVWHWIJASG-XGFHMTJNSA-N. The full InChI is InChI=1S/C30H26O7/c1-17(2)16-35-23-11-7-19(14-25(23)34-4)22-15-27(31)36-24-12-10-21-29(32)26(37-30(21)28(22)24)13-18-5-8-20(33-3)9-6-18/h5-14,22H,1,15-16H2,2-4H3/b26-13-/t22-/m0/s1.

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

(2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 498.53 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99991445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).