1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene

C30H23F3O — CID 77470460

IUPAC1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
SMILESC=Cc1ccc(-c2ccc(C=Cc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1
InChIInChI=1S/C30H23F3O/c1-3-20-5-12-23(13-6-20)26-17-15-24(29(32)30(26)33)14-9-21-7-10-22(11-8-21)25-16-18-28(34-4-2)27(31)19-25/h3,5-19H,1,4H2,2H3
InChIKeyKURPSXBJXCFCDC-UHFFFAOYSA-N
MW456.51 g/mol
LogP8.65
Rot. Bonds7

About 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene

1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene (PubChem CID 77470460) has the molecular formula C30H23F3O and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
PubChem CID77470460
Molecular FormulaC30H23F3O
Molecular Weight456.51 g/mol
Exact Mass456.17
IUPAC Name1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
SMILESC=Cc1ccc(-c2ccc(C=Cc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1
InChIInChI=1S/C30H23F3O/c1-3-20-5-12-23(13-6-20)26-17-15-24(29(32)30(26)33)14-9-21-7-10-22(11-8-21)25-16-18-28(34-4-2)27(31)19-25/h3,5-19H,1,4H2,2H3
InChIKeyKURPSXBJXCFCDC-UHFFFAOYSA-N
XLogP8.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethenyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429766
[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
CID 76658350
1-[(E)-2-[4-(4-butoxy-3-fluorophenyl)phenyl]ethenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89429683
1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 159752648
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948
2-[4-[4-[(E)-2-[4-(4-ethenylphenyl)-2,3-difluorophenyl]ethenyl]phenyl]-2-fluorophenyl]oxirane
CID 89124727
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
1-(4-ethenylcyclohexyl)-4-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 77470869
1-[4-[[4-(4-ethenylphenyl)cyclohexyl]methoxy]-3-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607142
1-[4-(4-ethenylphenyl)-3-fluorophenyl]-2,3-difluoro-4-methoxybenzene
CID 126584325
1-[(E)-2-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]ethenyl]-2,3-difluoro-4-methylbenzene
CID 58141764
[4-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorophenyl]cyclohexyl]methanol
CID 77470844

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
The IUPAC name of 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene (CID 77470460) is 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene is C=Cc1ccc(-c2ccc(C=Cc3ccc(-c4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
The InChIKey is KURPSXBJXCFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3O/c1-3-20-5-12-23(13-6-20)26-17-15-24(29(32)30(26)33)14-9-21-7-10-22(11-8-21)25-16-18-28(34-4-2)27(31)19-25/h3,5-19H,1,4H2,2H3.
What are the key properties of 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene has a molecular weight of 456.51 g/mol, XLogP of 8.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene is sourced from PubChem (CID 77470460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).