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

C28H29F — CID 58698594

IUPAC2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESC/C=C/CCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C28H29F/c1-3-4-6-9-24-17-19-27(28(29)21-24)18-16-23-12-14-25(15-13-23)20-22(2)26-10-7-5-8-11-26/h3-5,7-8,10-19,21-22H,6,9,20H2,1-2H3/b4-3+,18-16?/t22-/m1/s1
InChIKeyBOYQSHQKMXUOHM-ZCTWORHSSA-N
MW384.54 g/mol
LogP7.85
Rot. Bonds8

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

2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 58698594) has the molecular formula C28H29F and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
PubChem CID58698594
Molecular FormulaC28H29F
Molecular Weight384.54 g/mol
Exact Mass384.23
IUPAC Name2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESC/C=C/CCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C28H29F/c1-3-4-6-9-24-17-19-27(28(29)21-24)18-16-23-12-14-25(15-13-23)20-22(2)26-10-7-5-8-11-26/h3-5,7-8,10-19,21-22H,6,9,20H2,1-2H3/b4-3+,18-16?/t22-/m1/s1
InChIKeyBOYQSHQKMXUOHM-ZCTWORHSSA-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The IUPAC name of 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (CID 58698594) is 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The canonical SMILES for 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is C/C=C/CCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The InChIKey is BOYQSHQKMXUOHM-ZCTWORHSSA-N. The full InChI is InChI=1S/C28H29F/c1-3-4-6-9-24-17-19-27(28(29)21-24)18-16-23-12-14-25(15-13-23)20-22(2)26-10-7-5-8-11-26/h3-5,7-8,10-19,21-22H,6,9,20H2,1-2H3/b4-3+,18-16?/t22-/m1/s1.
What are the key properties of 2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]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-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).