4-BENZYLOXY-3-METHOXYSTYRENE
Product Information
Molecular Formula
C16H16O2
Molecular Weight
240.3
Description
4-BENZYLOXY-3-METHOXYSTYRENE is the pivotal starting material for a myriad of pharmaceuticals and molecular entities. It has broad applications in drug development against cancer and inflammatory diseases.
Synonyms
4-BENZYLOXY-3-METHOXYSTYRENE; 2-benzyloxy-5-vinylanisole; 4-BENZYLOXY-3-METHOXYSTYRENE 95%; 1-(Benzyloxy)-2-methoxy-4-vinylbenzene; 3-Methoxy-4-(benzyloxy)styrene; 4-Ethenyl-2-methoxy-1-(phenylmethoxy)benzene; 4-Benzyloxy-3-methoxystyrene,95%
IUPAC Name
4-ethenyl-2-methoxy-1-phenylmethoxybenzene
SMILES
COC1=C(C=CC(=C1)C=C)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-3-13-9-10-15(16(11-13)17-2)18-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3
InChI Key
DPAUCHAAEWIRKG-UHFFFAOYSA-N
Melting Point
49-54 °C (lit.)
Flash Point
Not applicable
Purity
0.97
Computed Properties
XLogP3
3.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
240.115029749 g/mol
Monoisotopic Mass
240.115029749 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
246
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes