2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

C36H37F — CID 91375296

About 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 91375296) has the molecular formula C36H37F and a molecular weight of 488.69 g/mol. Its IUPAC name is 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

• Compound Name: 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
• PubChem CID: 91375296
• Molecular Formula: C36H37F
• Molecular Weight: 488.69 g/mol
• Exact Mass: 488.29
• IUPAC Name: 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
• SMILES: CC=CCCc1ccc(CCc2ccc(C=Cc3ccc(C[C@@H](C)c4ccccc4)cc3)c(F)c2)cc1
• InChI: InChI=1S/C36H37F/c1-3-4-6-9-29-12-14-30(15-13-29)18-21-33-23-25-35(36(37)27-33)24-22-31-16-19-32(20-17-31)26-28(2)34-10-7-5-8-11-34/h3-5,7-8,10-17,19-20,22-25,27-28H,6,9,18,21,26H2,1-2H3/t28-/m1/s1
• InChIKey: AMVNVZRVJVVOIN-MUUNZHRXSA-N
• XLogP: 9.64
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.69
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?

The IUPAC name of 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (CID 91375296) is 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.

What is the SMILES notation for 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?

The canonical SMILES for 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is CC=CCCc1ccc(CCc2ccc(C=Cc3ccc(C[C@@H](C)c4ccccc4)cc3)c(F)c2)cc1.

What is the InChIKey of 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?

The InChIKey is AMVNVZRVJVVOIN-MUUNZHRXSA-N. The full InChI is InChI=1S/C36H37F/c1-3-4-6-9-29-12-14-30(15-13-29)18-21-33-23-25-35(36(37)27-33)24-22-31-16-19-32(20-17-31)26-28(2)34-10-7-5-8-11-34/h3-5,7-8,10-17,19-20,22-25,27-28H,6,9,18,21,26H2,1-2H3/t28-/m1/s1.

What are the key properties of 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?

2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene has a molecular weight of 488.69 g/mol, XLogP of 9.64, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 91375296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).