Chem
J-GLOBAL ID:200907095372709864   Nikkaji number:J1.846.322I

3-[2-Methyl-4-[1-ethyl-1-[3-methyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]propyl]phenoxy]-1,2-propanediol

3-(4-{3-[4-(2-ヒドロキシ-3,3-ジメチルブトキシ)-3-メチルフェニル]ペンタン-3-イル}-2-メチルフェノキシ)プロパン-1,2-ジオール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C28H42O5
Molecular formula furigana: C28-H42-O5
Molecular weight: 458.639
InChI: InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3
InChI key: AIKLCYAFOOBGEV-UHFFFAOYSA-N
SMILES: CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Systematic name  (3):
  • 3-[2-メチル-4-[1-エチル-1-[3-メチル-4-(2-ヒドロキシ-3,3-ジメチルブトキシ)フェニル]プロピル]フェノキシ]-1,2-プロパンジオール
  • 3-(4-{3-[4-(2-ヒドロキシ-3,3-ジメチルブトキシ)-3-メチルフェニル]ペンタン-3-イル}-2-メチルフェノキシ)プロパン-1,2-ジオール
  • 3-(4-{3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl}-2-methylphenoxy)propane-1,2-diol
Other name (1):
  • 3-[2-Methyl-4-[1-ethyl-1-[3-methyl-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]propyl]phenoxy]-1,2-propanediol
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