9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene

C24H20O2 — CID 25028120

IUPAC9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
SMILESCOc1cc(/C=C/c2c3ccccc3cc3ccccc23)cc(OC)c1
InChIInChI=1S/C24H20O2/c1-25-20-13-17(14-21(16-20)26-2)11-12-24-22-9-5-3-7-18(22)15-19-8-4-6-10-23(19)24/h3-16H,1-2H3/b12-11+
InChIKeyZETCEDKSSPNWOR-VAWYXSNFSA-N
MW340.42 g/mol
LogP6.18
Rot. Bonds4

About 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene

9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene (PubChem CID 25028120) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene.

Molecular Properties

Compound Name9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
PubChem CID25028120
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene
SMILESCOc1cc(/C=C/c2c3ccccc3cc3ccccc23)cc(OC)c1
InChIInChI=1S/C24H20O2/c1-25-20-13-17(14-21(16-20)26-2)11-12-24-22-9-5-3-7-18(22)15-19-8-4-6-10-23(19)24/h3-16H,1-2H3/b12-11+
InChIKeyZETCEDKSSPNWOR-VAWYXSNFSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene?
The IUPAC name of 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene (CID 25028120) is 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene.
What is the SMILES notation for 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene?
The canonical SMILES for 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene is COc1cc(/C=C/c2c3ccccc3cc3ccccc23)cc(OC)c1.
What is the InChIKey of 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene?
The InChIKey is ZETCEDKSSPNWOR-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H20O2/c1-25-20-13-17(14-21(16-20)26-2)11-12-24-22-9-5-3-7-18(22)15-19-8-4-6-10-23(19)24/h3-16H,1-2H3/b12-11+.
What are the key properties of 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene?
9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene has a molecular weight of 340.42 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]anthracene is sourced from PubChem (CID 25028120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).