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

C22H17F3O — CID 159752648

IUPAC1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(/C=C/c3cccc(F)c3F)cc2)cc1F
InChIInChI=1S/C22H17F3O/c1-2-26-21-13-12-18(14-20(21)24)16-9-6-15(7-10-16)8-11-17-4-3-5-19(23)22(17)25/h3-14H,2H2,1H3/b11-8+
InChIKeyNDVNDNNHHMKFLR-DHZHZOJOSA-N
MW354.37 g/mol
LogP6.34
Rot. Bonds5

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

1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene (PubChem CID 159752648) has the molecular formula C22H17F3O and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
PubChem CID159752648
Molecular FormulaC22H17F3O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(/C=C/c3cccc(F)c3F)cc2)cc1F
InChIInChI=1S/C22H17F3O/c1-2-26-21-13-12-18(14-20(21)24)16-9-6-15(7-10-16)8-11-17-4-3-5-19(23)22(17)25/h3-14H,2H2,1H3/b11-8+
InChIKeyNDVNDNNHHMKFLR-DHZHZOJOSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.37
LogP ≤ 56.34
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

[4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorophenyl]methanol
CID 76658350
1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 77470460
1-[(E)-2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethenyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429766
1-[(E)-2-[4-(4-butoxy-3-fluorophenyl)phenyl]ethenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89429683
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470948
1-[(E)-2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethenyl]-2,3-difluoro-4-methoxybenzene
CID 89140000
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
1-ethoxy-2-fluoro-4-prop-1-enylbenzene
CID 58719170
1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
CID 69031311
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
CID 138459505
1-(4-ethenylcyclohexyl)-4-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 77470869
1-(4-ethoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 89430318

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
The IUPAC name of 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene (CID 159752648) is 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene is CCOc1ccc(-c2ccc(/C=C/c3cccc(F)c3F)cc2)cc1F.
What is the InChIKey of 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
The InChIKey is NDVNDNNHHMKFLR-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H17F3O/c1-2-26-21-13-12-18(14-20(21)24)16-9-6-15(7-10-16)8-11-17-4-3-5-19(23)22(17)25/h3-14H,2H2,1H3/b11-8+.
What are the key properties of 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene?
1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene has a molecular weight of 354.37 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene is sourced from PubChem (CID 159752648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).