CAS 269410-25-5|3,5-Dimethyl-4-hydroxyphenylboronic acid pinacol ester|3,5-二甲基-4-羟基苯硼酸频哪醇酯|2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol|4-Hydroxy-3,5-dimethylphenylboronic ...

General Information

Structure

Molecular Formula

C₁₄H₂₁BO₃

Molecular Mass

248.12574

Exact Mass

248.15837493

Charge

InChI

InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3

InChIKey

TYCKOBOJYNRIBO-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1cc(C)c(c(c1)C)O

Isomeric Smiles

B1(c2cc(c(c(c2)C)O)C)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

Acid pKa

9.335593

H Acceptors

H Donor

LogD (pH = 5.5)

4.550337

LogD (pH = 7.4)

4.545405

Log P

4.5504

Molar Refractivity

67.7764

Polarizability

28.133265

Polar Surface Area

38.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3,5-Dimethyl-4-hydroxyphenylboronic acid pinacol ester3,5-二甲基-4-羟基苯硼酸频哪醇酯4-Hydroxy-3,5-dimethylphenylboronic acid, pinacol cyclic ester2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol2,6-Dimethyl-4-(4,4-5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol2,6-二甲基-4-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)苯酚4-羟基-3,5-二甲基苯硼酸频哪醇环酯2,6-二甲基-4-(4,4,5,5-四甲基-1,3,2-二氧硼烷-2-YL)苯酚3,5-Dimethyl-4-hydroxybenzeneboronic acid, pinacol ester4-Hydroxy-3,5-dimethylphenylboronic acid pinacol ester2,6-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL

IUPAC name

2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

IUPAC Traditional name

2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Names and Identifiers

Registration numbers

PubChem SID

24874047162040067

MDL Number

MFCD02093724

CAS Number

269410-25-5