3-(Benzyloxy)-4-methylphenylboronic acid
Product Information
Molecular Formula
C14H15BO3
Molecular Weight
242.08
Description
3-(Benzyloxy)-4-methylphenylboronic acid has shown an important role in drug synthesis, especially the synthesis of drugs targeting cancer, inflammation and cardiovascular diseases.
Synonyms
(4-methyl-3-phenylmethoxyphenyl)boronic acid; [3-(Benzyloxy)-4-methylphenyl]boronic acid; Boronic acid, B-[4-methyl-3-(phenylmethoxy)phenyl]-; (3-(Benzyloxy)-4-methylphenyl)boronicacid; 3-(Benzyloxy)-4-methylphenylboronic acid
IUPAC Name
(4-methyl-3-phenylmethoxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)C)OCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C14H15BO3/c1-11-7-8-13(15(16)17)9-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChI Key
NJDWFMZIGIGFTM-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
242.1114245 g/mol
Monoisotopic Mass
242.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
241
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
