1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]benzene

• ChemBase ID: 109429
• Molecular Formular: C16H16O2
• Molecular Mass: 240.29704
• Monoisotopic Mass: 240.11502975
• SMILES: COc1ccc(cc1)/C=C/c1ccc(OC)cc1
• Canonical SMILES: COc1ccc(cc1)/C=C/c1ccc(cc1)OC
• InChI: InChI=1S/C16H16O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h3-12H,1-2H3
• InChIKey: CAWFCZIEFIQKRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]benzene
• IUPAC Traditional name: 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]benzene
• Synonyms: 4,4'-DIMETHOXYSTILBENE

Database IDs

• CAS Number: 15638-14-9
• PubChem SID: 162096279
• PubChem CID: 641296

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9977443
• LogD (pH = 7.4): 3.9977443
• Log P: 3.9977443
• Molar Refractivity: 74.4392 cm^3
• Polarizability: 28.581566 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05211040

MP Biomedicals Rare Chemical collection