1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene

C23H26ClFO — CID 134961073

IUPAC1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene
SMILESC=CC(CC/C=C/Cc1ccc(F)cc1)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C23H26ClFO/c1-2-19(9-6-18-26-23-16-12-21(24)13-17-23)7-4-3-5-8-20-10-14-22(25)15-11-20/h2-3,5,10-17,19H,1,4,6-9,18H2/b5-3+
InChIKeyOEYKORXCWCHDOC-HWKANZROSA-N
MW372.91 g/mol
LogP7.02
Rot. Bonds11

About 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene

1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene (PubChem CID 134961073) has the molecular formula C23H26ClFO and a molecular weight of 372.91 g/mol. Its IUPAC name is 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene
PubChem CID134961073
Molecular FormulaC23H26ClFO
Molecular Weight372.91 g/mol
Exact Mass372.17
IUPAC Name1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene
SMILESC=CC(CC/C=C/Cc1ccc(F)cc1)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C23H26ClFO/c1-2-19(9-6-18-26-23-16-12-21(24)13-17-23)7-4-3-5-8-20-10-14-22(25)15-11-20/h2-3,5,10-17,19H,1,4,6-9,18H2/b5-3+
InChIKeyOEYKORXCWCHDOC-HWKANZROSA-N
XLogP7.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.91
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene?
The IUPAC name of 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene (CID 134961073) is 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene?
The canonical SMILES for 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene is C=CC(CC/C=C/Cc1ccc(F)cc1)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene?
The InChIKey is OEYKORXCWCHDOC-HWKANZROSA-N. The full InChI is InChI=1S/C23H26ClFO/c1-2-19(9-6-18-26-23-16-12-21(24)13-17-23)7-4-3-5-8-20-10-14-22(25)15-11-20/h2-3,5,10-17,19H,1,4,6-9,18H2/b5-3+.
What are the key properties of 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene?
1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene has a molecular weight of 372.91 g/mol, XLogP of 7.02, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-4-ethenyl-9-(4-fluorophenyl)non-7-enoxy]benzene is sourced from PubChem (CID 134961073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).