1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene

C20H20O2 — CID 139785643

IUPAC1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene
SMILESC=Cc1ccc(OC(/C=C/C)Oc2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H20O2/c1-4-7-20(21-18-12-8-16(5-2)9-13-18)22-19-14-10-17(6-3)11-15-19/h4-15,20H,2-3H2,1H3/b7-4+
InChIKeySKDYHYMQWZCCOA-QPJJXVBHSA-N
MW292.38 g/mol
LogP5.33
Rot. Bonds7

About 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene

1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene (PubChem CID 139785643) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene
PubChem CID139785643
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene
SMILESC=Cc1ccc(OC(/C=C/C)Oc2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H20O2/c1-4-7-20(21-18-12-8-16(5-2)9-13-18)22-19-14-10-17(6-3)11-15-19/h4-15,20H,2-3H2,1H3/b7-4+
InChIKeySKDYHYMQWZCCOA-QPJJXVBHSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene?
The IUPAC name of 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene (CID 139785643) is 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene.
What is the SMILES notation for 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene?
The canonical SMILES for 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene is C=Cc1ccc(OC(/C=C/C)Oc2ccc(C=C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene?
The InChIKey is SKDYHYMQWZCCOA-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H20O2/c1-4-7-20(21-18-12-8-16(5-2)9-13-18)22-19-14-10-17(6-3)11-15-19/h4-15,20H,2-3H2,1H3/b7-4+.
What are the key properties of 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene?
1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene has a molecular weight of 292.38 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(E)-1-(4-ethenylphenoxy)but-2-enoxy]benzene is sourced from PubChem (CID 139785643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).