Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1C=CC(c2ccccc2)(c2ccccc2)CC1
- InChIKey
- LUFGFXHHSGISSL-UHFFFAOYSA-N
- 分子式
- C18H16O
- 平均分子量
- 248.3 g/mol
- 单同位素质量
- 248.12011513
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 325
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4,4-Diphenyl-2-cyclohexen-1-one4528-64-72-Cyclohexen-1-one, 4,4-diphenyl-DTXSID30196460NSC 82171RefChem:259816DTXCID40118951LUFGFXHHSGISSL-UHFFFAOYSA-N4,4-diphenylcyclohex-2-en-1-one2'H-[1,1':1',1''-Terphenyl]-4'(3'H)-oneMFCD000751592',3'-dihydro-4'H-[1,1':1',1''-terphenyl]-4'-oneMLS002694471C18H16O4,4-diphenylcyclohex-2-enoneNSC821714,4-diphenyl-cyclohex-2-en-1-one4,4-diphenylcyclohexenoneNCIOpen2_004348SCHEMBL744007
REACTIONS
参与反应
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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