1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene

C25H23F3 — CID 58141784

IUPAC1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(/C=C/c2ccc(-c3ccc(CC)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C25H23F3/c1-3-5-20-13-14-21(25(28)24(20)27)11-8-17-6-9-19(10-7-17)22-15-12-18(4-2)23(26)16-22/h6-16H,3-5H2,1-2H3/b11-8+
InChIKeyXMXLUAYPDFPJOY-DHZHZOJOSA-N
MW380.45 g/mol
LogP7.46
Rot. Bonds6

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

1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene (PubChem CID 58141784) has the molecular formula C25H23F3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene
PubChem CID58141784
Molecular FormulaC25H23F3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene
SMILESCCCc1ccc(/C=C/c2ccc(-c3ccc(CC)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C25H23F3/c1-3-5-20-13-14-21(25(28)24(20)27)11-8-17-6-9-19(10-7-17)22-15-12-18(4-2)23(26)16-22/h6-16H,3-5H2,1-2H3/b11-8+
InChIKeyXMXLUAYPDFPJOY-DHZHZOJOSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene?
The IUPAC name of 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene (CID 58141784) is 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene.
What is the SMILES notation for 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene?
The canonical SMILES for 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene is CCCc1ccc(/C=C/c2ccc(-c3ccc(CC)c(F)c3)cc2)c(F)c1F.
What is the InChIKey of 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene?
The InChIKey is XMXLUAYPDFPJOY-DHZHZOJOSA-N. The full InChI is InChI=1S/C25H23F3/c1-3-5-20-13-14-21(25(28)24(20)27)11-8-17-6-9-19(10-7-17)22-15-12-18(4-2)23(26)16-22/h6-16H,3-5H2,1-2H3/b11-8+.
What are the key properties of 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene?
1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene has a molecular weight of 380.45 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[4-(4-ethyl-3-fluorophenyl)phenyl]ethenyl]-2,3-difluoro-4-propylbenzene is sourced from PubChem (CID 58141784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).