HCID15285823

4-(3-Hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzoic acid

4-[3-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-ynyl]benzoic acid

C24H26O3362.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)CCC(C)(C)c2cc(C(O)C#Cc3ccc(C(=O)O)cc3)ccc21
InChIKey: RSCWUOATVPBANH-UHFFFAOYSA-N
分子式: C24H26O3
平均分子量: 362.5 g/mol
单同位素质量: 362.18819469

COMPUTED

结构计算性质

已同步

XLogP: 5.8
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 3
重原子: 27
形式电荷: 0
复杂度: 612

ALIASES

名称与别名

共 4 条

4-(3-hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzoic acid4-[3-hydroxy-3-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propynyl]benzoic acidSCHEMBL6378967RSCWUOATVPBANH-UHFFFAOYSA-N

REACTIONS

参与反应

9 条

uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313162B1

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06368608B1

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uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06368608B1

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uspto-grants-1998_02 · 10.6084/m9.figshare.5104873.v1 · US05716624

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uspto-grants-2000_04 · 10.6084/m9.figshare.5104873.v1 · US06046220

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2000_12 · 10.6084/m9.figshare.5104873.v1 · US06162445

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