Methyl 3-(2-(benzyloxy)-5-bromophenyl)-3-phenylpropanoate

HCID 21476697CAS 156755-24-7

Basic information

Standard SMILES
COC(=O)CC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1
InChIKey
SXFFQILYKHDSIZ-UHFFFAOYSA-N
Molecular formula
C23H21BrO3
Average molar mass
425.3 g/mol
Monoisotopic mass
424.06740663

Names & identifiers

Preferred name
Methyl 3-(2-(benzyloxy)-5-bromophenyl)-3-phenylpropanoate
IUPAC
methyl 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanoate
English name
Benzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl ester
Molecular formula
C23H21BrO3
Molecular weight
425.32

Names & synonyms

156755-24-7Methyl 3-(2-(benzyloxy)-5-bromophenyl)-3-phenylpropanoateBenzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl estermethyl 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropanoateMETHYL 3-[2-(BENZYLOXY)-5-BROMOPHENYL]-3-PHENYLPROPANOATESXFFQILYKHDSIZ-UHFFFAOYSA-NMFCD16038976Benzenepropanoic acid, 5-bromo-b-phenyl-2-(phenylmethoxy)-, methyl ester, (+/-)-C23H21BrO3SCHEMBL1355279DTXSID501194621CS-B0083
Show more names
Benzenepropanoic acid, 5-bromo-β-phenyl-2-(phenylmethoxy)-, methyl esterzenepropanoic acid, 5-bromo-.beta.-phenyl-2-(phenylmethoxy)-, methyl esterBenzenepropanoic acid, 5-broMo-b-phenyl-2-(phenylMethoxy)-, Methyl ester, (±)-
AKOS037650025CS-14110DB-325877F787667methyl 3-(2-benzyloxy-5-bromophenyl)-3-phenylpropanoatemethyl 3-(2-benzyloxy-5-bromo-phenyl)-3-phenyl-propanoateMethyl3-(2-(benzyloxy)-5-bromophenyl)-3-phenylpropanoateMethyl 5-bromo-I(2)-phenyl-2-(phenylmethoxy)benzenepropanoate

Database identifiers

CAS
156755-24-7
PubChem CID
21476697
DTXSID
DTXSID501194621

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
27

Physicochemical properties

Boiling point
527 · 527.0±50.0 °C(Predicted)
Density
1.314 · 1.314±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers10 total

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
斯派螺(武汉)药物研发有限公司[email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]

Related reactions

13 records

Linked notes

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