2-丙烯-1-酮,1-(4-甲氧基苯基)-3-苯基-(2E)- | 22966-19-4
中文名称:
2-丙烯-1-酮,1-(4-甲氧基苯基)-3-苯基-(2E)-
英文名称:
2-Propen-1-one,1-(4-methoxyphenyl)-3-phenyl-, (2E)-
CAS No.:
22966-19-4
分子式:
C1 6 H1 4 O2
分子量:
238.28116
名称和标识符
MDL
MFCD00008407
InChIKey
KJHHAPASNNVTSN-KPKJPENVSA-N
Inchi
InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7+
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2
别名信息
- 英文别名 -
2-Propen-1-one,1-(4-methoxyphenyl)-3-phenyl-, (2E)-
1-(4-methoxyphenyl)-3-phenyl-2-propen-1-one
4'-METHOXYCHALCONE
(E)-1-(4’-methoxyphenyl)-3-phenylprop-2-en-1-one
(E)-3-(2-bromophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
4-methoxychalcone
1-(P-METHOXYPHENYL)-3-PHENYL-2-PROPEN-1-ONE
S10032
1-(4-METHOXYPHENYL)-3-PHENYLPROPENONE
METHOXYCHALCONE, TRANS-4'-
ST059919
959-23-9
SR-05000002481-1
Q27274750
MEGxp0_001883
NSC-37157
CHEMBL34398
BSPBio_002861
E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
4'-METHOXYCHALCONE [INCI]
SR-05000002481
Z46053756
(E)-1-(4-Methoxy-phenyl)-3-phenyl-propenone
1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
Spectrum5_000236
CHALCONE, 4'-METHOXY-
s5851
NCGC00095535-01
TS-00699
KJHHAPASNNVTSN-KPKJPENVSA-N
BRD-K09233738-001-04-4
22966-19-4
PD002123
Styryl p-anisyl ketone
.ALPHA.-STYRYL P-ANISYL KETONE
AF-961/00496034
SDCCGMLS-0066535.P001
InChI=1/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3/b12-7
MFCD00008407
(2E)-1-(4-Methoxyphenyl)-3-phenyl-2-propen-1-one
NSC 37157
1-(4-Methoxy-phenyl)-3-phenyl-propenone
NCGC00095535-03
DTXSID001238595
CS-0099579
AB00375841-02
CCG-214164
NCGC00095535-04
(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
BM45N45FIZ
CHEBI:174232
BDBM50141532
2-propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-, (2E)-
LMPK12120188
2-Propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-
ACon1_000177
4-Methoxyphenyl styryl ketone
NCGC00095535-02
4'-Methoxychalcone
1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one (6)
SPECTRUM211475
(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
AKOS001325034
NSC37157
HY-128400
物化性质
实验特性
LogP
3.59130
PSA
26.30000
沸点
397.5°Cat760mmHg
闪点
180.5°C
密度
1.114
计算特性
精确分子量
238.09900
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
4
同位素质量
238.099379685g/mol
重原子数量
18
复杂度
282
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
1
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
3.1
拓扑分子极性表面积
26.3Ų
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