.β.-Phenylethyl 4-Hydroxy-3-Methoxycinnamate

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Properties Simple | Detailed

Formula C18H18O4
IUPAC Name 2-phenylethyl (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Molecular Mass 298.333 g·mol−1
Heat of Formation -467.0 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 368.18 Å 3
Surface Area 316.59 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid 2-phenylethyl ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 2-phenylethyl ester
  • 2-phenylethyl (2e)-3-[4-hydroxy-3-(methyloxy)phenyl]prop-2-enoate
  • 2-phenylethyl (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • 2-phenylethyl (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • 2-phenylethyl 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
  • 2-phenylethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
  • 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-phenylethyl ester
  • 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid 2-phenylethyl ester
  • 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 2-phenylethyl ester
  • phenyethyl 3-methylcaffeate
  • phenylethyl 3-methylcaffeate
  • phenylethyl-3-methylcaffeate
CAS Number(s)
  • 71835-85-3
InChIKey CZQNYPBIOHVQQN-CSKARUKUSA-N
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