2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene

C22H24O2 — CID 11809378

IUPAC2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene
SMILESC=CCOc1ccc(OCC=C)c(/C=C/c2cc(C)ccc2C)c1
InChIInChI=1S/C22H24O2/c1-5-13-23-21-11-12-22(24-14-6-2)20(16-21)10-9-19-15-17(3)7-8-18(19)4/h5-12,15-16H,1-2,13-14H2,3-4H3/b10-9+
InChIKeyYCTXWNVJSKJJKW-MDZDMXLPSA-N
MW320.43 g/mol
LogP5.60
Rot. Bonds8

About 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene

2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene (PubChem CID 11809378) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene
PubChem CID11809378
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene
SMILESC=CCOc1ccc(OCC=C)c(/C=C/c2cc(C)ccc2C)c1
InChIInChI=1S/C22H24O2/c1-5-13-23-21-11-12-22(24-14-6-2)20(16-21)10-9-19-15-17(3)7-8-18(19)4/h5-12,15-16H,1-2,13-14H2,3-4H3/b10-9+
InChIKeyYCTXWNVJSKJJKW-MDZDMXLPSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene (CID 11809378) is 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene is C=CCOc1ccc(OCC=C)c(/C=C/c2cc(C)ccc2C)c1.
What is the InChIKey of 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene?
The InChIKey is YCTXWNVJSKJJKW-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H24O2/c1-5-13-23-21-11-12-22(24-14-6-2)20(16-21)10-9-19-15-17(3)7-8-18(19)4/h5-12,15-16H,1-2,13-14H2,3-4H3/b10-9+.
What are the key properties of 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene?
2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene has a molecular weight of 320.43 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2,5-bis(prop-2-enoxy)phenyl]ethenyl]-1,4-dimethylbenzene is sourced from PubChem (CID 11809378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).