Butyl 4'-hydroxy-3'-methoxycinnamate

HCID 6437331CAS 4657-33-4

子结构检索查找相似结构

基本信息

标准SMILES: CCCCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIKey: JTQRZRRDNZAHMH-SOFGYWHQSA-N
分子式: C14H18O4
平均分子量: 250.29 g/mol

概述

Butyl 4'-hydroxy-3'-methoxycinnamate has been reported in Phellodendron chinense with data available.

名称与标识

首选名称: Butyl 4'-hydroxy-3'-methoxycinnamate
IUPAC: butyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

名称与别名

4657-33-4Butyl 4'-hydroxy-3'-methoxycinnamatebutyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateEINECS 225-100-3RefChem:122212225-100-3Butyl Ferulaten-butyl ferulate1-ButylferulateCHEMBL2088766SCHEMBL189938422-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, butyl ester

展开更多名称

1-Butyl 4-hydroxy-3-methoxycinnamateFB136915DB-384850Butyl 3-(4-hydroxy-3-methoxyphenyl)acrylatebutyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate

数据库标识

CAS: 4657-33-4
PubChem CID: 6437331
ChEMBL: CHEMBL2088766
EC Number: 225-100-3
Nikkaji: J297.874A、J729.909E

性质

结构计算性质

XLogP: 3.1
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 7
重原子: 18
形式电荷: 0
复杂度: 275

安全与法规

危害信息

Regulatory InformationChemical: 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, butyl ester

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

关联笔记

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