5-[(2E)-2-Buten-2-Yl]-3-Hydroxy-2-Methylphenyl 6-[(2E)-2-Buten-2-Yl]-2,4-Dihydroxy-3-Methylbenzoate

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Properties Simple | Detailed

Formula C23H26O5
IUPAC Name [3-hydroxy-2-methyl-5-[(e)-1-methylprop-1-enyl]phenyl] 2,4-dihydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoate
Molecular Mass 382.450 g·mol−1
Heat of Formation -816.0 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 476.84 Å 3
Surface Area 393.7 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dihydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoic acid [3-hydroxy-2-methyl-5-[(e)-1-methylprop-1-enyl]phenyl] ester
  • [3-hydroxy-2-methyl-5-[(e)-1-methylprop-1-enyl]phenyl] 2,4-dihydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoate
  • [5-[(e)-but-2-en-2-yl]-3-hydroxy-2-methyl-phenyl] 6-[(e)-but-2-en-2-yl]-2,4-dihydroxy-3-methyl-benzoate
  • [5-[(e)-but-2-en-2-yl]-3-hydroxy-2-methylphenyl] 6-[(e)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoate
InChIKey MQRHCNRZGMQERA-INOXDZRUSA-N
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