1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene

C24H20F4O2 — CID 89139958

IUPAC1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
SMILESCCOCc1ccc(-c2ccc(/C=C/c3ccc(OC)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C24H20F4O2/c1-3-30-14-18-10-12-19(23(27)22(18)26)16-7-4-15(5-8-16)6-9-17-11-13-20(29-2)24(28)21(17)25/h4-13H,3,14H2,1-2H3/b9-6+
InChIKeyVPVIUNGFUIVPRI-RMKNXTFCSA-N
MW416.41 g/mol
LogP6.63
Rot. Bonds7

About 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene

1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene (PubChem CID 89139958) has the molecular formula C24H20F4O2 and a molecular weight of 416.41 g/mol. Its IUPAC name is 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
PubChem CID89139958
Molecular FormulaC24H20F4O2
Molecular Weight416.41 g/mol
Exact Mass416.14
IUPAC Name1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
SMILESCCOCc1ccc(-c2ccc(/C=C/c3ccc(OC)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C24H20F4O2/c1-3-30-14-18-10-12-19(23(27)22(18)26)16-7-4-15(5-8-16)6-9-17-11-13-20(29-2)24(28)21(17)25/h4-13H,3,14H2,1-2H3/b9-6+
InChIKeyVPVIUNGFUIVPRI-RMKNXTFCSA-N
XLogP6.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethenyl]-2,3-difluoro-4-methoxybenzene
CID 89140000
1-[(E)-2-[4-[4-(ethoxymethyl)-2-fluorophenyl]phenyl]ethenyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 89124833
2-[4-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88997622
1-butyl-4-[4-[(E)-2-(4-ethyl-2,3-difluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 88997553
1-[2-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 77470915
1-[4-[(E)-2-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]ethenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89124531
1-[(E)-2-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]ethenyl]-2,3-difluoro-4-methylbenzene
CID 58141764
1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 77470460
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
CID 144969645
1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
CID 58141080
[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
CID 76658350
1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946168

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The IUPAC name of 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene (CID 89139958) is 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene is CCOCc1ccc(-c2ccc(/C=C/c3ccc(OC)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The InChIKey is VPVIUNGFUIVPRI-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H20F4O2/c1-3-30-14-18-10-12-19(23(27)22(18)26)16-7-4-15(5-8-16)6-9-17-11-13-20(29-2)24(28)21(17)25/h4-13H,3,14H2,1-2H3/b9-6+.
What are the key properties of 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene has a molecular weight of 416.41 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene is sourced from PubChem (CID 89139958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).