4-(2,2-Dibromoethenyl)-2-methoxy-1-benzyloxybenzene - CAS 347377-09-7

Catalog:	BB068142
Product Name:	4-(2,2-Dibromoethenyl)-2-methoxy-1-benzyloxybenzene
CAS:	347377-09-7
Synonyms:	4-(2,2-Dibromoethenyl)-2-methoxy-1-(phenylmethoxy)benzene

Technical Data

IUPAC Name:	4-(2,2-dibromoethenyl)-2-methoxy-1-phenylmethoxybenzene
Description:	Used in the synthesis of gingerol, diarylheptanoids and yashabushidiol and its analogs.
Molecular Weight:	398.09
Molecular Formula:	C16H14Br2O2
Canonical SMILES:	COC1=C(C=CC(=C1)C=C(Br)Br)OCC2=CC=CC=C2
InChI:	InChI=1S/C16H14Br2O2/c1-19-15-9-13(10-16(17)18)7-8-14(15)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChI Key:	HWTAKHFVMXXTCI-UHFFFAOYSA-N
Solubility:	Dichloromethane, Ethyl Acetate
Appearance:	Colorless Crystal
References:	Sabitha, G. et al. Assumetry 22, 2124 (2011); Narasimhulu, M. et al. Bioorg. Med. Chem. 19, 3125 (2009).

Complexity:	310
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	397.93401
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	395.93605
Rotatable Bond Count:	5
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1