2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methoxy-2,5,7,8-tetramethyl-

HCID 103763

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基本情報

CAS: 53209-24-8
標準SMILES: COC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIKey: KCTHYRRQQNMFKC-UHFFFAOYSA-N
分子式: C14H20O3
平均分子量: 236.31 g/mol
単同位体質量: 236.1412445

名称と識別子

優先名称: 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methoxy-2,5,7,8-tetramethyl-
IUPAC: 2-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
英語名: 2H-1-Benzopyran-6-ol,3,4-dihydro-2-methoxy-2,5,7,8-tetramethyl-
分子式: C14H20O3
分子量: 236.31

名称と別名

2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methoxy-2,5,7,8-tetramethyl-(+-)-2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methoxy-2,5,7,8-tetramethyl-RefChem:48418453209-24-82-methoxy-2,5,7,8-tetramethylchroman-6-ol3,4-Dihydro-2-methoxy-2,5,7,8-tetramethyl-2H-1-benzopyran-6-ol6-hydroxy-2-methoxy-2,5,7,8-tetramethylchromanSCHEMBL7327753DTXSID408860422-Methoxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-olG83620F556034

名称をさらに表示

2H-1-Benzopyran-6-ol,3,4-dihydro-2-methoxy-2,5,7,8-tetramethyl-

(+/-)-6-hydroxy-2-methoxy-2,5,7,8-tetramethylchroman(+/- )-6-hydroxy-2-methoxy-2,5,7,8-tetramethylchroman(+/-)-6-hydroxy- 2-methoxy-2,5,7,8-tetramethylchroman(+/-)-6-hydroxy-2-methoxy-2,5,7,8 -tetramethylchroman(+/-)-6-hydroxy-2-methoxy-2,5,7,8-tetra-methylchroman

データベース識別子

CAS: 53209-24-8
PubChem CID: 103763
DTXSID: DTXSID40886042
Nikkaji: J2.479.226I

物性

構造計算による物性

XLogP: 3.2
極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 281

物理化学的性質

融点: 156 °C · 156 °C(Solv: methanol (67-56-1))
沸点: 363 · 363.0±42.0 °C(Predicted)
比重(密度): 1.12 · 1.12±0.1 g/cm3(Predicted)
酸解離定数(Pka): 11.28 · 11.28±0.40(Predicted)
EPAの化学物質情報: 2 H-1-Benzopyran-6-ol, · 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methoxy-2,5,7,8-tetramethyl- (53209-24-8)