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

C28H29F — CID 91188184

IUPAC2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
SMILESCC=CCCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2F)cc1
InChIInChI=1S/C28H29F/c1-3-4-6-9-23-12-14-24(15-13-23)16-18-27-19-17-25(21-28(27)29)20-22(2)26-10-7-5-8-11-26/h3-5,7-8,10-19,21-22H,6,9,20H2,1-2H3/t22-/m1/s1
InChIKeyNJSLJIRSFXVCIF-JOCHJYFZSA-N
MW384.54 g/mol
LogP7.85
Rot. Bonds8

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

2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene (PubChem CID 91188184) has the molecular formula C28H29F and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
PubChem CID91188184
Molecular FormulaC28H29F
Molecular Weight384.54 g/mol
Exact Mass384.23
IUPAC Name2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
SMILESCC=CCCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2F)cc1
InChIInChI=1S/C28H29F/c1-3-4-6-9-23-12-14-24(15-13-23)16-18-27-19-17-25(21-28(27)29)20-22(2)26-10-7-5-8-11-26/h3-5,7-8,10-19,21-22H,6,9,20H2,1-2H3/t22-/m1/s1
InChIKeyNJSLJIRSFXVCIF-JOCHJYFZSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58699470
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594
2-fluoro-1-[2-[3-fluoro-4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[(2S)-2-phenylpropyl]benzene
CID 58698929
2-fluoro-4-[(2S)-2-fluoro-2-phenylethyl]-1-[2-(4-pent-3-enylphenyl)ethenyl]benzene
CID 91484905
[4-[(E)-pent-3-enyl]phenyl] 4-[2-[2-fluoro-4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzoate
CID 58698472
[4-[(E)-pent-3-enyl]phenyl] 4-[2-[2-fluoro-4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzoate
CID 58698141
1,3-difluoro-5-pent-3-enyl-2-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91003590
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2-fluoro-1-[2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]benzene
CID 58699012
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698730

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene?
The IUPAC name of 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene (CID 91188184) is 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene.
What is the SMILES notation for 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene?
The canonical SMILES for 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene is CC=CCCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2F)cc1.
What is the InChIKey of 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene?
The InChIKey is NJSLJIRSFXVCIF-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H29F/c1-3-4-6-9-23-12-14-24(15-13-23)16-18-27-19-17-25(21-28(27)29)20-22(2)26-10-7-5-8-11-26/h3-5,7-8,10-19,21-22H,6,9,20H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene?
2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene has a molecular weight of 384.54 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene is sourced from PubChem (CID 91188184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).