2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C14H21BO3CAS 269410-25-5248.13 g/mol

Open in Covalent MOL file
BOOOH
Boronic esterPhenol

Properties

Molecular formula
C14H21BO3
Molar mass
248.13 g/mol
Exact mass
248.1584 Da
logP
2.31Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
269410-25-5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C
InChIKey
TYCKOBOJYNRIBO-UHFFFAOYSA-N
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

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Work with 2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Phenyltriboronic acid, pinacol ester365564-05-261 % similar 2-(3,4-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane401797-00-061 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-350 % similar 2-(3,5-Dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane68716-51-850 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-150 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-649 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-049 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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