1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene

C18H20O4 — CID 90666859

IUPAC1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C=C/c2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H20O4/c1-19-15-9-10-17(21-3)14(11-15)6-5-13-7-8-16(20-2)12-18(13)22-4/h5-12H,1-4H3/b6-5+
InChIKeyCGXNGPNYZHFKKZ-AATRIKPKSA-N
MW300.35 g/mol
LogP3.89
Rot. Bonds6

About 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene

1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene (PubChem CID 90666859) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene
PubChem CID90666859
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C=C/c2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H20O4/c1-19-15-9-10-17(21-3)14(11-15)6-5-13-7-8-16(20-2)12-18(13)22-4/h5-12H,1-4H3/b6-5+
InChIKeyCGXNGPNYZHFKKZ-AATRIKPKSA-N
XLogP3.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene (CID 90666859) is 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene is COc1ccc(OC)c(/C=C/c2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
The InChIKey is CGXNGPNYZHFKKZ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-9-10-17(21-3)14(11-15)6-5-13-7-8-16(20-2)12-18(13)22-4/h5-12H,1-4H3/b6-5+.
What are the key properties of 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene?
1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene has a molecular weight of 300.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 90666859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).