3-[(2R,3S)-3-(3-Hydroxyphenyl)-2-Butanyl]Phenol

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Properties Simple | Detailed

Formula C16H18O2
IUPAC Name 3-[(1s,2r)-2-(3-hydroxyphenyl)-1-methyl-propyl]phenol
Molecular Mass 242.313 g·mol−1
Heat of Formation -282.1 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 310.96 Å 3
Surface Area 275.08 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry Ci
Synonyms
  • 1,2-dimethyl-1,2-bis(3'-hydroxyphenyl)ethane
  • 3-[(1s,2r)-2-(3-hydroxyphenyl)-1-methyl-propyl]phenol
  • 3-[(1s,2r)-2-(3-hydroxyphenyl)-1-methylpropyl]phenol
  • metabutestrol
  • phenol, 3,3'-(1,2-dimethyl-1,2-ethanediyl)bis-, (r*,s*)-
CAS Number(s)
  • 78682-42-5
InChIKey NVDZTIMKHYWAEW-TXEJJXNPSA-N
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Elements H C O