3-(5'-{[3,4-Bis(Hydroxymethyl)Benzyl]Oxy}-2'-Methyl-2-Propyl-4-Biphenylyl)-3-Pentanol

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Properties Simple | Detailed

Formula C30H38O4
IUPAC Name 3-[4-[5-[[3,4-bis(hydroxymethyl)phenyl]methoxy]-2-methyl-phenyl]-3-propyl-phenyl]pentan-3-ol
Molecular Mass 462.620 g·mol−1
Heat of Formation -695.1 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 598.78 Å 3
Surface Area 499.41 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-[5-(3,4-dimethylolbenzyl)oxy-2-methyl-phenyl]-3-propyl-phenyl]pentan-3-ol
  • 3-[4-[5-[[3,4-bis(hydroxymethyl)phenyl]methoxy]-2-methylphenyl]-3-propylphenyl]pentan-3-ol
InChIKey RQEWKYJOEHTLIM-UHFFFAOYSA-N
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Elements H C O