Ethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxynaphth-2-yl]naphth-2-oate 分子结构式
HCID15462839

Ethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxynaphth-2-yl]naphth-2-oate

ethyl 6-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)naphthalene-2-carboxylate

C25H26O3374.5 g/mol

IDENTITY

结构与身份

标准SMILES
CCOC(=O)c1ccc2cc(-c3ccc4c(c3)C(O)CCC4(C)C)ccc2c1
InChIKey
BELNGOACWRAUAY-UHFFFAOYSA-N
分子式
C25H26O3
平均分子量
374.5 g/mol
单同位素质量
374.18819469

COMPUTED

结构计算性质

已同步
XLogP
5.8
极性表面积
46.5 Ų
氢键供体
1
氢键受体
3
可旋转键
4
重原子
28
形式电荷
0
复杂度
556

ALIASES

名称与别名

共 7 条
SCHEMBL6294064BELNGOACWRAUAY-UHFFFAOYSA-Nethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy naphth-2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-naphth -2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxy-naphth-2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dimethyl-8-hydroxynaphth-2-yl]naphth-2-oateethyl 6-[5,6,7,8-tetrahydro-5,5-dirnethyl-8-hydroxy-naphth-2-yl]naphth-2-oate

REACTIONS

参与反应

51
HRID 1360 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723666

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HRID 1378 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723666

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HRID 1379 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723666

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HRID 24559 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855832B2

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HRID 24574 反应方程式

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855832B2

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HRID 213948 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 481190 反应方程式

uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06653483B1

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HRID 481209 反应方程式

uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06653483B1

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