2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene

C26H26F2 — CID 58699151

IUPAC2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C26H26F2/c1-3-7-23-16-17-24(26(28)25(23)27)15-14-20-10-12-21(13-11-20)18-19(2)22-8-5-4-6-9-22/h4-6,8-17,19H,3,7,18H2,1-2H3/t19-/m1/s1
InChIKeyWOIGXDDCXHPBQI-LJQANCHMSA-N
MW376.49 g/mol
LogP7.43
Rot. Bonds7

About 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene

2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene (PubChem CID 58699151) has the molecular formula C26H26F2 and a molecular weight of 376.49 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
PubChem CID58699151
Molecular FormulaC26H26F2
Molecular Weight376.49 g/mol
Exact Mass376.20
IUPAC Name2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
SMILESCCCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)c(F)c1F
InChIInChI=1S/C26H26F2/c1-3-7-23-16-17-24(26(28)25(23)27)15-14-20-10-12-21(13-11-20)18-19(2)22-8-5-4-6-9-22/h4-6,8-17,19H,3,7,18H2,1-2H3/t19-/m1/s1
InChIKeyWOIGXDDCXHPBQI-LJQANCHMSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 57.43
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

2,3-difluoro-1-[(E)-pent-3-enyl]-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052682
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
2-fluoro-4-[(E)-pent-3-enyl]-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698594
2-fluoro-4-[(E)-2-[4-(2-fluoro-2-phenylethyl)phenyl]ethenyl]-1-propylbenzene
CID 21052814
2-fluoro-4-[2-[4-[(2S)-2-fluoro-2-phenylethyl]phenyl]ethenyl]-1-propylbenzene
CID 58698955

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
The IUPAC name of 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene (CID 58699151) is 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
The canonical SMILES for 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene is CCCc1ccc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
The InChIKey is WOIGXDDCXHPBQI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26F2/c1-3-7-23-16-17-24(26(28)25(23)27)15-14-20-10-12-21(13-11-20)18-19(2)22-8-5-4-6-9-22/h4-6,8-17,19H,3,7,18H2,1-2H3/t19-/m1/s1.
What are the key properties of 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene?
2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene has a molecular weight of 376.49 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene is sourced from PubChem (CID 58699151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).