5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene

C20H24O4 — CID 155566631

IUPAC5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene
SMILESCCc1c(OC)cc(/C=C/c2cc(OC)cc(OC)c2)cc1OC
InChIInChI=1S/C20H24O4/c1-6-18-19(23-4)11-15(12-20(18)24-5)8-7-14-9-16(21-2)13-17(10-14)22-3/h7-13H,6H2,1-5H3/b8-7+
InChIKeyWDQXEKWVZOUZLO-BQYQJAHWSA-N
MW328.41 g/mol
LogP4.45
Rot. Bonds7

About 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene

5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene (PubChem CID 155566631) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene
PubChem CID155566631
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene
SMILESCCc1c(OC)cc(/C=C/c2cc(OC)cc(OC)c2)cc1OC
InChIInChI=1S/C20H24O4/c1-6-18-19(23-4)11-15(12-20(18)24-5)8-7-14-9-16(21-2)13-17(10-14)22-3/h7-13H,6H2,1-5H3/b8-7+
InChIKeyWDQXEKWVZOUZLO-BQYQJAHWSA-N
XLogP4.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.45
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 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene?
The IUPAC name of 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene (CID 155566631) is 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene.
What is the SMILES notation for 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene?
The canonical SMILES for 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene is CCc1c(OC)cc(/C=C/c2cc(OC)cc(OC)c2)cc1OC.
What is the InChIKey of 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene?
The InChIKey is WDQXEKWVZOUZLO-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H24O4/c1-6-18-19(23-4)11-15(12-20(18)24-5)8-7-14-9-16(21-2)13-17(10-14)22-3/h7-13H,6H2,1-5H3/b8-7+.
What are the key properties of 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene?
5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene has a molecular weight of 328.41 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-ethyl-1,3-dimethoxybenzene is sourced from PubChem (CID 155566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).