HCID18436330

(1-Methyl-3,4-di(4-hydroxy-phenyl)-cyclohex-3-enyl)-methanol

4-[4-(hydroxymethyl)-2-(4-hydroxyphenyl)-4-methylcyclohexen-1-yl]phenol

C20H22O3310.4 g/molCAS 821798-53-2

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IDENTITY

结构与身份

标准SMILES: CC1(CO)CCC(c2ccc(O)cc2)=C(c2ccc(O)cc2)C1
InChIKey: GKSMJTMUMNMPKR-UHFFFAOYSA-N
分子式: C20H22O3
平均分子量: 310.4 g/mol
单同位素质量: 310.15689456

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 60.7 Å²
氢键供体: 3
氢键受体: 3
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 428

ALIASES

名称与别名

共 6 条

821798-53-2SCHEMBL5394022DTXSID30593758GKSMJTMUMNMPKR-UHFFFAOYSA-N(1-methyl-3,4-di(4-hydroxy-phenyl)-cyclohex-3-enyl)-methanol2~4~-(Hydroxymethyl)-2~4~-methyl-2~3~,2~4~,2~5~,2~6~-tetrahydro[1~1~,2~1~:2~2~,3~1~-terphenyl]-1~4~,3~4~-diol

REACTIONS

参与反应

3 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183445B2

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07183445B2

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