(1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene

C32H30O4 — CID 71726563

About (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene

(1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene (PubChem CID 71726563) has the molecular formula C32H30O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene.

Molecular Properties

• Compound Name: (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene
• PubChem CID: 71726563
• Molecular Formula: C32H30O4
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.21
• IUPAC Name: (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene
• SMILES: COc1cc(OC)cc([C@@H]2/C(=C\c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1
• InChI: InChI=1S/C32H30O4/c1-33-24-16-23(17-25(18-24)34-2)30-27(15-21-11-7-5-8-12-21)28-19-26(35-3)20-29(36-4)32(28)31(30)22-13-9-6-10-14-22/h5-20,30-31H,1-4H3/b27-15-/t30-,31+/m1/s1
• InChIKey: SGUKOVOJIPQRDA-XKLSYVDXSA-N
• XLogP: 7.19
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene?

The IUPAC name of (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene (CID 71726563) is (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene.

What is the SMILES notation for (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene?

The canonical SMILES for (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene is COc1cc(OC)cc([C@@H]2/C(=C\c3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1.

What is the InChIKey of (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene?

The InChIKey is SGUKOVOJIPQRDA-XKLSYVDXSA-N. The full InChI is InChI=1S/C32H30O4/c1-33-24-16-23(17-25(18-24)34-2)30-27(15-21-11-7-5-8-12-21)28-19-26(35-3)20-29(36-4)32(28)31(30)22-13-9-6-10-14-22/h5-20,30-31H,1-4H3/b27-15-/t30-,31+/m1/s1.

What are the key properties of (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene?

(1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene has a molecular weight of 478.59 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,3E)-3-benzylidene-2-(3,5-dimethoxyphenyl)-5,7-dimethoxy-1-phenyl-1,2-dihydroindene is sourced from PubChem (CID 71726563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).