1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene

C15H12ClFO2 — CID 167461303

IUPAC1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H12ClFO2/c1-18-9-8-11-2-7-15(14(17)10-11)19-13-5-3-12(16)4-6-13/h2-10H,1H3/b9-8+
InChIKeyZQHGETYTSJCYFT-CMDGGOBGSA-N
MW278.71 g/mol
LogP4.89
Rot. Bonds4

About 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene

1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene (PubChem CID 167461303) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene
PubChem CID167461303
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccc(Oc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C15H12ClFO2/c1-18-9-8-11-2-7-15(14(17)10-11)19-13-5-3-12(16)4-6-13/h2-10H,1H3/b9-8+
InChIKeyZQHGETYTSJCYFT-CMDGGOBGSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene?
The IUPAC name of 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene (CID 167461303) is 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene.
What is the SMILES notation for 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene?
The canonical SMILES for 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene is CO/C=C/c1ccc(Oc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene?
The InChIKey is ZQHGETYTSJCYFT-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-18-9-8-11-2-7-15(14(17)10-11)19-13-5-3-12(16)4-6-13/h2-10H,1H3/b9-8+.
What are the key properties of 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene?
1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene has a molecular weight of 278.71 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene is sourced from PubChem (CID 167461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).