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

C18H20O4 — CID 5387294

IUPAC1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+
InChIKeyPTVAOGIYBMTHSN-AATRIKPKSA-N
MW300.35 g/mol
LogP3.89
Rot. Bonds6

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

1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene (PubChem CID 5387294) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
PubChem CID5387294
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+
InChIKeyPTVAOGIYBMTHSN-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'}

Analyze 1-[(E)-2-(3,4-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

Related Compounds

Methyleugenol
CID 7127
Pterostilbene
CID 5281727
Asarone
CID 636822
Myristicin
CID 4276
Elemicin
CID 10248
Methylisoeugenol
CID 637776
3,4,5-Trimethoxycinnamic acid
CID 735755
Combretastatin A4
CID 5351344
Isorhapontigenin
CID 5318650
precocene II
CID 12565
Terameprocol
CID 476861
4-Methyl-2,6-dimethoxyphenol
CID 240925

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene (CID 5387294) is 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene is COc1cc(/C=C/c2ccc(OC)c(OC)c2)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
The InChIKey is PTVAOGIYBMTHSN-AATRIKPKSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+.
What are the key properties of 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-(3,4-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-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 5387294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).