(1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene

C34H34O5 — CID 71726565

About (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene

(1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene (PubChem CID 71726565) has the molecular formula C34H34O5 and a molecular weight of 522.64 g/mol. Its IUPAC name is (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene.

Molecular Properties

• Compound Name: (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene
• PubChem CID: 71726565
• Molecular Formula: C34H34O5
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.24
• IUPAC Name: (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene
• SMILES: COc1ccc([C@@H]2c3c(OC)cc(OC)cc3/C(=C/c3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1
• InChI: InChI=1S/C34H34O5/c1-21-7-9-22(10-8-21)15-29-30-19-28(38-5)20-31(39-6)34(30)33(23-11-13-25(35-2)14-12-23)32(29)24-16-26(36-3)18-27(17-24)37-4/h7-20,32-33H,1-6H3/b29-15-/t32-,33+/m1/s1
• InChIKey: JUOBLWZTIGUZRF-ZAGIXMNSSA-N
• XLogP: 7.51
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene?

The IUPAC name of (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene (CID 71726565) is (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene.

What is the SMILES notation for (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene?

The canonical SMILES for (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene is COc1ccc([C@@H]2c3c(OC)cc(OC)cc3/C(=C/c3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1.

What is the InChIKey of (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene?

The InChIKey is JUOBLWZTIGUZRF-ZAGIXMNSSA-N. The full InChI is InChI=1S/C34H34O5/c1-21-7-9-22(10-8-21)15-29-30-19-28(38-5)20-31(39-6)34(30)33(23-11-13-25(35-2)14-12-23)32(29)24-16-26(36-3)18-27(17-24)37-4/h7-20,32-33H,1-6H3/b29-15-/t32-,33+/m1/s1.

What are the key properties of (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene?

(1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene has a molecular weight of 522.64 g/mol, XLogP of 7.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,3E)-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-(4-methoxyphenyl)-3-[(4-methylphenyl)methylidene]-1,2-dihydroindene is sourced from PubChem (CID 71726565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).