CAS 325142-84-5|3-Methoxyphenylboronic acid pinacol ester|2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-(3-Methoxyphenyl)-...

General Information

Structure

Molecular Formula

C₁₃H₁₉BO₃

Molecular Mass

234.09916

Exact Mass

234.14272487

Charge

InChI

InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-7-6-8-11(9-10)15-5/h6-9H,1-5H3

InChIKey

DMKREZLZDOSDQU-UHFFFAOYSA-N

Canonic Smiles

COc1cccc(c1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1B(OC(C1(C)C)(C)C)c1cc(ccc1)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6477

LogD (pH = 7.4)

3.6477

Log P

3.6477

Molar Refractivity

62.1763

Polarizability

26.516893

Polar Surface Area

27.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Methoxyphenylboronic acid pinacol ester2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3-Methoxyphenylboronic acid pinacol esterm-(Pinacolboryl)anisol3-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene3-Methoxybenzeneboronic acid, pinacol ester2-(3-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

IUPAC Traditional name

2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC name

2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names and Identifiers

Registration numbers

CAS Number

325142-84-5

MDL Number

MFCD05863915

PubChem SID

162035850