3,5-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC &
Product Information
Molecular Formula
C11H17BO3
Molecular Weight
208.063
Description
3,5-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC is widely used in the development of drugs to treat various diseases such as cancer, diabetes and inflammation.
Synonyms
3,5-Dimethyl-4-isopropoxyphenylboronic acid; (4-Isopropoxy-3,5-dimethylphenyl)boronic acid; (3,5-dimethyl-4-propan-2-yloxyphenyl)boronic acid; [3,5-dimethyl-4-(propan-2-yloxy)phenyl]boronic acid; 3,5-DIMETHYL-4-ISOPROPOXYPHENYLBORONIC &; (4-Isopropoxy-3,5-dimethylphenyl)boronicacid; SCHEMBL9893601; {3,5-Dimethyl-4-[(propan-2-yl)oxy]phenyl}boronic acid
IUPAC Name
(3,5-dimethyl-4-propan-2-yloxyphenyl)boronic acid
SMILES
B(C1=CC(=C(C(=C1)C)OC(C)C)C)(O)O
InChI
InChI=1S/C11H17BO3/c1-7(2)15-11-8(3)5-10(12(13)14)6-9(11)4/h5-7,13-14H,1-4H3
InChI Key
OESNXDCMAFEMMC-UHFFFAOYSA-N
Melting Point
206-210 °C (lit.)
Purity
98%
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
208.1270746 g/mol
Monoisotopic Mass
208.1270746 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
184
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
