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

C26H26O4 — CID 22935022

IUPAC4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H26O4/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18H,1-4H3/b10-8+,11-9+
InChIKeyYHUHHWLPMHNSOR-GFULKKFKSA-N
MW402.49 g/mol
LogP6.06
Rot. Bonds8

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

4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene (PubChem CID 22935022) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene
PubChem CID22935022
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H26O4/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18H,1-4H3/b10-8+,11-9+
InChIKeyYHUHHWLPMHNSOR-GFULKKFKSA-N
XLogP6.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-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 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene (CID 22935022) is 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene is COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC.
What is the InChIKey of 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene?
The InChIKey is YHUHHWLPMHNSOR-GFULKKFKSA-N. The full InChI is InChI=1S/C26H26O4/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18H,1-4H3/b10-8+,11-9+.
What are the key properties of 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene?
4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene has a molecular weight of 402.49 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 22935022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).