4-[(4-ヒドロキシ-3-メチルフェニル)(4-ヒドロキシフェニル)メチレン]-2,5-シクロヘキサジエン-1-オン

4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one

HCID 120307CAS 35675-66-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1cc(C(=C2C=CC(=O)C=C2)c2ccc(O)cc2)ccc1O
InChIKey: TWNIXJJSBDRPSN-UHFFFAOYSA-N
分子式: C20H16O3
平均分子量: 304.3 g/mol
単同位体質量: 304.10994437

名称と識別子

優先名称: 4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one
IUPAC: 4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
現地名: 4-[(4-ヒドロキシ-3-メチルフェニル)(4-ヒドロキシフェニル)メチレン]-2,5-シクロヘキサジエン-1-オン
英語名: 4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one
分子式: C20H16O3
分子量: 304.33924

名称と別名

4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one35675-66-2EINECS 252-671-64-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-oneDTXSID001891822,5-Cyclohexadien-1-one, 4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]-2,5-Cyclohexadien-1-one, 4-((4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)-RefChem:509497DTXCID30111673252-671-6633-00-14-(Bis(4-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-one

名称をさらに表示

4-[(4-ヒドロキシ-3-メチルフェニル)(4-ヒドロキシフェニル)メチレン]-2,5-シクロヘキサジエン-1-オン4-[(4-ヒドロキシ-3-メチルフェニル)(4-ヒドロキシフェニル)メチリデン]シクロヘキサ-2,5-ジエン-1-オン2,5-Cyclohexadien-1-one, 4-(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene-4-[(4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one

4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-oneBRN 25922322,5-Cyclohexadien-1-one, 4-(bis(p-hydroxyphenyl)methylene)-2-methyl-4-(Bis(p-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-oneSCHEMBL28938042TWNIXJJSBDRPSN-UHFFFAOYSA-NWSRGFVKIQYLNMY-UHFFFAOYSA-NDTXSID201317969

データベース識別子

CAS: 35675-66-2、633-00-1
PubChem CID: 120307
DTXSID: DTXSID00189182
EC Number: 252-671-6
Nikkaji: J135.617H、J260.668B

物性

構造計算による物性

XLogP: 4.2
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 23
形式電荷: 0
複雑度: 517

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

安全と法規制

危険有害性情報

Regulatory Information4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one: Does not have an individual approval but may be used under an appropriate group standard

化学と産業

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