chempirical

(2,6-Dimethyl-4-methoxyphenyl)boronic acid

C9H13BO3CAS 361543-99-9180.01 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C9H13BO3
Molar mass
180.01 g/mol
Exact mass
180.0958 Da
logP
-0.01Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
361543-99-9
SMILES
B(C1=C(C=C(C=C1C)OC)C)(O)O
InChIKey
UOSSBXMFWPYHEF-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (2,6-Dimethyl-4-methoxyphenyl)boronic acid

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

2,4,6-Trimethoxyphenylboronic acid135159-25-062 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-059 % similar 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-058 % similar 3,5-Dimethoxyphenylboronic acid192182-54-055 % similar 2,6-Dimethylphenylboronic acid100379-00-848 % similar 2,3,5,6-Tetramethylphenylboronic acid197223-36-247 % similar 3,4-Dimethylanisole4685-47-647 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethoxy-5-methylphenylboronic acid123291-97-4 2-Isopropoxyphenylboronic acid138008-97-6 3-Propoxyphenylboronic acid149557-18-6 4-Isopropoxybenzeneboronic acid153624-46-5 4-Propoxyphenylboronic acid186497-67-6 3-Isopropoxybenzeneboronic acid216485-86-8 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-8 4-Ethoxy-2-methylphenylboronic acid313545-31-2

Elsewhere

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