3-(2,4-Dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one

HCID 2733909CAS 336101-27-0
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Basic information

Standard SMILES
COc1ccc(C=CC(=O)c2ccc(F)cc2)c(OC)c1
InChIKey
BZMXLKULLDWQBK-UHFFFAOYSA-N
Molecular formula
C17H15FO3
Average molar mass
286.3 g/mol
Monoisotopic mass
286.10052256

Names & identifiers

Preferred name
3-(2,4-Dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
IUPAC
3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
English name
2,4-DIMETHOXY-4'-FLUOROCHALCONE, 97
Molecular formula
C17H15FO3
Molecular weight
286.3

Names & synonyms

3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-oneCBMicro_040823DTXSID00370033AKOS0302423502,4-DIMETHOXY-4'-FLUOROCHALCONE, 973-(2,4-Dimethoxyphenyl)-1-(4-fluorophenyl)-2-propen-1-one2-Propen-1-one, 3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-(2E)-3-(2,4-Dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one

Database identifiers

CAS
336101-27-0
PubChem CID
2733909
DTXSID
DTXSID00370033

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Physicochemical properties

Melting point
117 °C · 117 °C
Boiling point
118 °C · 118 °C
Density
1.2105 · 1.2105 (estimate)
HS Code
29147000 · 29147000

Safety & regulation

Safety data

hs_code
29147000

Chemistry & industry

Suppliers8 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]

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