5-Methoxy-3-(2-Phenylethenyl)-2,4-Bis(4-Hydroxybenzyl)Phenol

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Properties Simple | Detailed

Formula C28H16O4
IUPAC Name 5-[(2-ethynyl-3-methyl-cycloprop-2-en-1-ylidene)methylene]-4,6-bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylene]cyclohex-2-en-1-one; formaldehyde
Molecular Mass 416.424 g·mol−1
Heat of Formation -356.3 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 538.25 Å 3
Surface Area 424.54 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-bis(4-hydroxybenzyl)-5-methoxy-3-(2-phenylvinyl)phenol
  • 2,4-bis(4-hydroxybenzyl)-5-methoxy-3-[(e)-2-phenylvinyl]phenol
  • 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
  • 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylvinyl)phenol
  • 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[(e)-2-phenylethenyl]phenol
  • 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[(e)-2-phenylvinyl]phenol
  • 5-methoxy-3-(2-phenyl-e-e-ethenyl)-2,4-bis(4-hydroxybenzyl) phenol
  • 5-mpe-bis(hobz)phenol
CAS Number(s)
  • 152383-83-0
InChIKey JPOSRDXMWOPQOV-LFIBNONCSA-N
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