基本情報
- CAS
3839-46-1- 標準SMILES
Oc1ccc(/C=C/c2ccccc2)cc1- InChIKey
QVLMUEOXQBUPAH-VOTSOKGWSA-N- 分子式
- C14H12O
- 平均分子量
- 196.24 g/mol
- 単同位体質量
- 196.088815
概要
Stilben-4-ol is a phenol having the structure of stilbene with a hydroxy function at C-4 of one of the phenyl rings; the stereochemistry across the alkene bond is not specified. It derives from a hydride of a stilbene.
名称と識別子
- 優先名称
- 4-Hydroxy-trans-stilbene
- IUPAC
- 4-[(E)-2-phenylethenyl]phenol
名称と別名
4-hydroxy-trans-stilbeneRefChem:912576trans-4-Hydroxystilbene4-Styrylphenol6554-98-94-[(E)-2-Phenylethenyl]phenolp-Styrylphenol(E)-4-STYRYLPHENOL4-(2-phenylethenyl)phenol(E)-4-Stilbenolp-HYDROXYSTILBENE(E)-4-hydroxystilbene
名称をさらに表示
4-(2-phenylvinyl)phenoltrans-4-Stilbenoltrans-stilben-4-ol4-Stilbenol, (E)-Phenol, 4-(2-phenylethenyl)-, (E)-trans-p-HydroxystilbeneCHEMBL1956244-[(E)-2-phenylvinyl]phenol
データベース識別子
- CAS
3839-46-1、6554-98-9- PubChem CID
- 5284650
- DTXSID
DTXSID2022464- ChEMBL
CHEMBL195624- ChEBI
CHEBI:36664- UNII
- S6E4ZX5JSS
- EC Number
- 229-483-8
- Nikkaji
- J145.987B、J217.708K
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 195
実験および物理化学的性質
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
関連反応
5 件
化合物ノート
読み込み中…