(1S,2S)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol

Base Information

• Chemical Name: (1S,2S)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
• CAS No.: 68143-82-8
• Molecular Formula: C22H28O6
• Molecular Weight: 388.4541
• DSSTox Substance ID: DTXSID801316545
• Nikkaji Number: J878.592I
• Wikidata: Q105154287
• Metabolomics Workbench ID: 136692
• ChEMBL ID: CHEMBL464934
• Mol file: 68143-82-8.mol

Synonyms:CHEMBL464934;DTXSID801316545

Chemical Property of (1S,2S)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 7.93E-13mmHg at 25°C
• Boiling Point: 547.7°Cat760mmHg
• PKA: 13.16±0.20(Predicted)
• Flash Point: 285°C
• PSA: 66.38000
• Density: 1.133g/cm³
• LogP: 4.25500
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 388.18858861
• Heavy Atom Count: 28
• Complexity: 456

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC
• Isomeric SMILES: C/C=C/C1=CC(=C(C=C1)O[C@@H](C)[C@H](C2=CC(=C(C(=C2)OC)OC)OC)O)OC