2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene

C26H27F — CID 58698548

IUPAC2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@H](C)c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C26H27F/c1-3-7-22-15-17-25(26(27)19-22)16-14-21-10-12-23(13-11-21)18-20(2)24-8-5-4-6-9-24/h4-6,8-17,19-20H,3,7,18H2,1-2H3/t20-/m0/s1
InChIKeyPBJMCIGCOZSQCM-FQEVSTJZSA-N
MW358.50 g/mol
LogP7.29
Rot. Bonds7

About 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene

2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene (PubChem CID 58698548) has the molecular formula C26H27F and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
PubChem CID58698548
Molecular FormulaC26H27F
Molecular Weight358.50 g/mol
Exact Mass358.21
IUPAC Name2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@H](C)c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C26H27F/c1-3-7-22-15-17-25(26(27)19-22)16-14-21-10-12-23(13-11-21)18-20(2)24-8-5-4-6-9-24/h4-6,8-17,19-20H,3,7,18H2,1-2H3/t20-/m0/s1
InChIKeyPBJMCIGCOZSQCM-FQEVSTJZSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.50
LogP ≤ 57.29
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-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
2-fluoro-4-propyl-1-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698539
2-fluoro-4-[2-(4-pent-3-enylphenyl)ethyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 91375296
2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58699151
2-fluoro-4-[2-[4-(2-phenylpropyl)cyclohexyl]ethyl]-1-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 21052816
4-[2-[3-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]phenyl]ethyl]benzonitrile
CID 58699390
2-fluoro-1-[2-(4-pent-3-enylphenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 91188184

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
The IUPAC name of 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene (CID 58698548) is 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene.
What is the SMILES notation for 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
The canonical SMILES for 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene is CCCc1ccc(C=Cc2ccc(C[C@H](C)c3ccccc3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
The InChIKey is PBJMCIGCOZSQCM-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27F/c1-3-7-22-15-17-25(26(27)19-22)16-14-21-10-12-23(13-11-21)18-20(2)24-8-5-4-6-9-24/h4-6,8-17,19-20H,3,7,18H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene has a molecular weight of 358.50 g/mol, XLogP of 7.29, 7 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-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene is sourced from PubChem (CID 58698548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).