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

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Properties Simple | Detailed

Formula C31H40O3
IUPAC Name 3-[4-[5-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-2-methyl-phenyl]-3-propyl-phenyl]pentan-3-ol
Molecular Mass 460.648 g·mol−1
Heat of Formation -573.0 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 615.94 Å 3
Surface Area 510.01 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-[5-[2-(3,4-dimethylolphenyl)ethyl]-2-methyl-phenyl]-3-propyl-phenyl]pentan-3-ol
  • 3-[4-[5-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-2-methylphenyl]-3-propylphenyl]pentan-3-ol
InChIKey ONKMRBXENJVARV-UHFFFAOYSA-N
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Elements H C O