1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

C18H20O4 — CID 5491

IUPAC1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(C=Cc2ccc(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3
InChIKeyJDBCWSHYEQUBLW-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.89
Rot. Bonds6

About 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene

1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene (PubChem CID 5491) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
PubChem CID5491
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(C=Cc2ccc(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3
InChIKeyJDBCWSHYEQUBLW-UHFFFAOYSA-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'}

Analyze 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene (CID 5491) is 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene is COc1cc(C=Cc2ccc(OC)cc2OC)cc(OC)c1.
What is the InChIKey of 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The InChIKey is JDBCWSHYEQUBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3.
What are the key properties of 1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-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-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 5491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).