1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene

C29H25F — CID 21052442

IUPAC1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
SMILESCC(Cc1ccc(/C=C/c2ccc(-c3ccc(F)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H25F/c1-22(26-5-3-2-4-6-26)21-25-11-9-23(10-12-25)7-8-24-13-15-27(16-14-24)28-17-19-29(30)20-18-28/h2-20,22H,21H2,1H3/b8-7+
InChIKeyRWWGAOFFXRTYKH-BQYQJAHWSA-N
MW392.52 g/mol
LogP8.01
Rot. Bonds6

About 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene

1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene (PubChem CID 21052442) has the molecular formula C29H25F and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
PubChem CID21052442
Molecular FormulaC29H25F
Molecular Weight392.52 g/mol
Exact Mass392.19
IUPAC Name1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
SMILESCC(Cc1ccc(/C=C/c2ccc(-c3ccc(F)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H25F/c1-22(26-5-3-2-4-6-26)21-25-11-9-23(10-12-25)7-8-24-13-15-27(16-14-24)28-17-19-29(30)20-18-28/h2-20,22H,21H2,1H3/b8-7+
InChIKeyRWWGAOFFXRTYKH-BQYQJAHWSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene
CID 58698930
4-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]phenyl]benzonitrile
CID 58698926
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[4-(2-phenylpropyl)phenyl]benzene
CID 21052460
2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698774

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene (CID 21052442) is 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene is CC(Cc1ccc(/C=C/c2ccc(-c3ccc(F)cc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene?
The InChIKey is RWWGAOFFXRTYKH-BQYQJAHWSA-N. The full InChI is InChI=1S/C29H25F/c1-22(26-5-3-2-4-6-26)21-25-11-9-23(10-12-25)7-8-24-13-15-27(16-14-24)28-17-19-29(30)20-18-28/h2-20,22H,21H2,1H3/b8-7+.
What are the key properties of 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene?
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene has a molecular weight of 392.52 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene is sourced from PubChem (CID 21052442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).