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

C24H21F3O — CID 58141080

IUPAC1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(/C=C/c3ccc(CC)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C24H21F3O/c1-3-17-11-12-19(24(27)23(17)26)10-7-16-5-8-18(9-6-16)21-14-13-20(28-4-2)15-22(21)25/h5-15H,3-4H2,1-2H3/b10-7+
InChIKeyPOTGCYWCDHCULM-JXMROGBWSA-N
MW382.43 g/mol
LogP6.90
Rot. Bonds6

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

1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene (PubChem CID 58141080) has the molecular formula C24H21F3O and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
PubChem CID58141080
Molecular FormulaC24H21F3O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(/C=C/c3ccc(CC)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C24H21F3O/c1-3-17-11-12-19(24(27)23(17)26)10-7-16-5-8-18(9-6-16)21-14-13-20(28-4-2)15-22(21)25/h5-15H,3-4H2,1-2H3/b10-7+
InChIKeyPOTGCYWCDHCULM-JXMROGBWSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene (CID 58141080) is 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene is CCOc1ccc(-c2ccc(/C=C/c3ccc(CC)c(F)c3F)cc2)c(F)c1.
What is the InChIKey of 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
The InChIKey is POTGCYWCDHCULM-JXMROGBWSA-N. The full InChI is InChI=1S/C24H21F3O/c1-3-17-11-12-19(24(27)23(17)26)10-7-16-5-8-18(9-6-16)21-14-13-20(28-4-2)15-22(21)25/h5-15H,3-4H2,1-2H3/b10-7+.
What are the key properties of 1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene?
1-[(E)-2-[4-(4-ethoxy-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene has a molecular weight of 382.43 g/mol, XLogP of 6.90, 6 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-2-fluorophenyl)phenyl]ethenyl]-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 58141080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).