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

C23H20ClF — CID 21052595

IUPAC1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
SMILESCC(Cc1ccc(/C=C/c2ccc(Cl)c(F)c2)cc1)c1ccccc1
InChIInChI=1S/C23H20ClF/c1-17(21-5-3-2-4-6-21)15-19-10-7-18(8-11-19)9-12-20-13-14-22(24)23(25)16-20/h2-14,16-17H,15H2,1H3/b12-9+
InChIKeyTXYFTOAFYBYLBM-FMIVXFBMSA-N
MW350.86 g/mol
LogP7.00
Rot. Bonds5

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

1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene (PubChem CID 21052595) has the molecular formula C23H20ClF and a molecular weight of 350.86 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
PubChem CID21052595
Molecular FormulaC23H20ClF
Molecular Weight350.86 g/mol
Exact Mass350.12
IUPAC Name1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
SMILESCC(Cc1ccc(/C=C/c2ccc(Cl)c(F)c2)cc1)c1ccccc1
InChIInChI=1S/C23H20ClF/c1-17(21-5-3-2-4-6-21)15-19-10-7-18(8-11-19)9-12-20-13-14-22(24)23(25)16-20/h2-14,16-17H,15H2,1H3/b12-9+
InChIKeyTXYFTOAFYBYLBM-FMIVXFBMSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.86
LogP ≤ 57.00
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

2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile
CID 58698573
2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698774
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698730
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
1,3-difluoro-2-[2-(4-fluorophenyl)ethenyl]-5-[(2R)-2-phenylpropyl]benzene
CID 58698930
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1,3-difluoro-5-pent-3-enyl-2-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91003590

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene (CID 21052595) is 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene is CC(Cc1ccc(/C=C/c2ccc(Cl)c(F)c2)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene?
The InChIKey is TXYFTOAFYBYLBM-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H20ClF/c1-17(21-5-3-2-4-6-21)15-19-10-7-18(8-11-19)9-12-20-13-14-22(24)23(25)16-20/h2-14,16-17H,15H2,1H3/b12-9+.
What are the key properties of 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene?
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene has a molecular weight of 350.86 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 21052595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).