1-(benzyloxy)-4-ethenyl-2-methoxybenzene

• ChemBase ID: 146798
• Molecular Formular: C16H16O2
• Molecular Mass: 240.29704
• Monoisotopic Mass: 240.11502975
• SMILES: COc1cc(ccc1OCc1ccccc1)C=C
• Canonical SMILES: COc1cc(C=C)ccc1OCc1ccccc1
• InChI: InChI=1S/C16H16O2/c1-3-13-9-10-15(16(11-13)17-2)18-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3
• InChIKey: DPAUCHAAEWIRKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-4-ethenyl-2-methoxybenzene
• IUPAC Traditional name: 1-(benzyloxy)-4-ethenyl-2-methoxybenzene
• Synonyms: 4-Benzyloxy-3-methoxystyrene; 4-苄氧基-3-甲氧基苯乙烯

Database IDs

• CAS Number: 55708-65-1
• EC Number: 259-771-9
• MDL Number: MFCD00008616
• PubChem SID: 162240990; 24852208
• PubChem CID: 563567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1190786
• LogD (pH = 7.4): 4.1190786
• Log P: 4.1190786
• Molar Refractivity: 73.2833 cm^3
• Polarizability: 28.50436 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49-54 °C(lit.)
• Flash Point: >113 °C; >235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C6H5CH2OC6H3(OCH3)CH=CH2

DETAILS

Sigma Aldrich - 205575

Packaging
1 g in glass bottle