3,5-Dimethyl-4-methoxybenzeneboronic acid

C₉H₁₃BO₃CAS 301699-39-8180.01 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₉H₁₃BO₃
Molar mass: 180.01 g/mol
Exact mass: 180.0958 Da
logP: -0.01Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

301699-39-8

SMILES

B(C1=CC(=C(C(=C1)C)OC)C)(O)O

InChIKey

WZUCSPWZHRVOSD-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5,11-12H,1-3H3

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

Names and synonyms

1 names

3,5-Dimethyl-4-methoxyphenylboronic acid

Work with 3,5-Dimethyl-4-methoxybenzeneboronic 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

3,4,5-Trimethoxybenzeneboronic acid182163-96-862 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-259 % similar (4-Ethoxy-3,5-dimethylphenyl)boronic acid850568-59-159 % similar (3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-958 % similar 3,5-Dimethoxyphenylboronic acid192182-54-055 % similar 4-Bromo-2,6-dimethylanisole14804-38-750 % similar 3,4-Dimethylphenylboronic acid55499-43-950 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-046 % 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 4-Ethoxy-2-methylphenylboronic acid313545-31-2 (2,6-Dimethyl-4-methoxyphenyl)boronic acid361543-99-9

Elsewhere

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